From 0717ddfc7f33325584b5326f300ba42603a2a134 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Fri, 1 Sep 2023 22:21:30 +0300 Subject: [PATCH] Added the DLR kinetic library --- input/kinetics/libraries/DLR/dictionary.txt | 6351 +++++ input/kinetics/libraries/DLR/reactions.py | 23056 ++++++++++++++++++ 2 files changed, 29407 insertions(+) create mode 100644 input/kinetics/libraries/DLR/dictionary.txt create mode 100644 input/kinetics/libraries/DLR/reactions.py diff --git a/input/kinetics/libraries/DLR/dictionary.txt b/input/kinetics/libraries/DLR/dictionary.txt new file mode 100644 index 0000000000..e974bf8f0f --- /dev/null +++ b/input/kinetics/libraries/DLR/dictionary.txt @@ -0,0 +1,6351 @@ +C +multiplicity 3 +1 C u2 p1 c0 + +OH +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 H u0 p0 c0 {1,S} + +CO +1 O u0 p1 c+1 {2,T} +2 C u0 p1 c-1 {1,T} + +H +multiplicity 2 +1 H u1 p0 c0 + +O2 +multiplicity 3 +1 O u1 p2 c0 {2,S} +2 O u1 p2 c0 {1,S} + +O +multiplicity 3 +1 O u2 p2 c0 + +HO2 +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CO2 +1 O u0 p2 c0 {3,D} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,D} {2,D} + +CH +multiplicity 2 +1 C u1 p1 c0 {2,S} +2 H u0 p0 c0 {1,S} + +HCO +multiplicity 2 +1 O u0 p2 c0 {2,D} +2 C u1 p0 c0 {1,D} {3,S} +3 H u0 p0 c0 {2,S} + +H2O +1 O u0 p2 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +H2 +1 H u0 p0 c0 {2,S} +2 H u0 p0 c0 {1,S} + +HCCO +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 C u0 p0 c0 {3,T} {4,S} +3 C u0 p0 c0 {1,S} {2,T} +4 H u0 p0 c0 {2,S} + +CH2 +multiplicity 3 +1 C u2 p0 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CH2O +1 O u0 p2 c0 {2,D} +2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + +H2O2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +CH2OH +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} + +CH3 +multiplicity 2 +1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH4 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CH2CO +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +CH3O +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +CH3OH +1 O u0 p2 c0 {2,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} + +CH2(S) +multiplicity 3 +1 C u2 p0 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CH2HCO +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 C u1 p0 c0 {3,S} {4,S} {5,S} +3 C u0 p0 c0 {1,D} {2,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +CH3CO +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u1 p0 c0 {1,D} {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +CH3CHO +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,D} {2,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +AR +1 Ar u0 p4 c0 + +N2 +1 N u0 p1 c0 {2,T} +2 N u0 p1 c0 {1,T} + +C2H5 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +CH3O2 +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +CH3O2H +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {7,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {2,S} + +C2H +multiplicity 2 +1 C u0 p0 c0 {2,T} {3,S} +2 C u1 p0 c0 {1,T} +3 H u0 p0 c0 {1,S} + +C2 +multiplicity 3 +1 C u1 p0 c0 {2,T} +2 C u1 p0 c0 {1,T} + +C2H2 +1 C u0 p0 c0 {2,T} {3,S} +2 C u0 p0 c0 {1,T} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +C2H3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +H2CC +multiplicity 3 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u2 p0 c0 {1,D} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +C2H4 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +C2H6 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H5OH +1 O u0 p2 c0 {2,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {1,S} + +CH3CHOH +multiplicity 2 +1 O u0 p2 c0 {3,S} {8,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u1 p0 c0 {1,S} {2,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} + +CH2CH2OH +multiplicity 2 +1 O u0 p2 c0 {2,S} {8,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u1 p0 c0 {2,S} {6,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} + +CH3CH2O +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +C3H6 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C3H2 +multiplicity 3 +1 C u0 p0 c0 {2,D} {3,D} +2 C u1 p0 c0 {1,D} {4,S} +3 C u1 p0 c0 {1,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} + +C3H3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {3,D} +3 C u1 p0 c0 {2,D} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} + +C3H4 +1 C u0 p0 c0 {3,D} {4,S} {5,S} +2 C u0 p0 c0 {3,D} {6,S} {7,S} +3 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C3H5 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +nC3H7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u1 p0 c0 {1,S} {9,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} + +iC3H7 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 C u1 p0 c0 {1,S} {2,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} + +C3H8 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C4H2 +1 C u0 p0 c0 {2,S} {3,T} +2 C u0 p0 c0 {1,S} {4,T} +3 C u0 p0 c0 {1,T} {5,S} +4 C u0 p0 c0 {2,T} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} + +iC4H3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {5,S} {6,S} +2 C u1 p0 c0 {1,D} {3,S} +3 C u0 p0 c0 {2,S} {4,T} +4 C u0 p0 c0 {3,T} {7,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {4,S} + +C4H4 +1 C u0 p0 c0 {2,D} {3,S} {5,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {8,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} + +C4H5 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u1 p0 c0 {2,D} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +iC4H5 +multiplicity 2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {4,D} {8,S} {9,S} +4 C u1 p0 c0 {1,S} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C4H6 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} + +nC4H7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u1 p0 c0 {1,S} {8,S} {9,S} +4 C u0 p0 c0 {2,D} {10,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} + +C4H8 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {4,D} {10,S} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} + +iC4H9 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u1 p0 c0 {1,S} {12,S} {13,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} + +iC4H8 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} + +iC4H7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {4,D} +3 C u1 p0 c0 {2,S} {8,S} {9,S} +4 C u0 p0 c0 {2,D} {10,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} + +pC4H9 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u1 p0 c0 {2,S} {12,S} {13,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} + +sC4H9 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 C u1 p0 c0 {1,S} {3,S} {13,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} + +tC4H9 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} + +N-C4H10 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} + +nC4H9OH +1 O u0 p2 c0 {4,S} {15,S} +2 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {1,S} + +CH2CH2CH2OH +multiplicity 2 +1 O u0 p2 c0 {3,S} {11,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +4 C u1 p0 c0 {2,S} {9,S} {10,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {1,S} + +nC4H9O-2 +multiplicity 2 +1 O u0 p2 c0 {3,S} {14,S} +2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} +4 C u0 p0 c0 {5,S} {10,S} {11,S} {12,S} +5 C u1 p0 c0 {2,S} {4,S} {13,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {1,S} + +CH3CH2CH2CHOH +multiplicity 3 +1 O u0 p2 c0 {5,S} {13,S} +2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} +5 C u2 p0 c0 {1,S} {3,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {1,S} + +nC4H7OH +1 O u0 p2 c0 {4,S} {15,S} +2 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {1,S} + +Ethenol +1 O u0 p2 c0 {2,S} {7,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {2,D} {5,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {1,S} + +nC3H7CHO +1 O u0 p2 c0 {5,D} +2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} +5 C u0 p0 c0 {1,D} {3,S} {13,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} + +C4H7O +multiplicity 2 +1 O u0 p2 c0 {5,D} +2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} +5 C u1 p0 c0 {1,D} {3,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} + +C4H6O +1 O u0 p2 c0 {5,D} +2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +4 C u0 p0 c0 {2,S} {5,D} {11,S} +5 C u0 p0 c0 {1,D} {4,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} + +DME +1 O u0 p2 c0 {2,S} {3,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +(C2H5O) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +3 C u1 p0 c0 {1,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +OME1 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {3,S} {5,S} +3 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +5 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} + +COCO* +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u1 p2 c0 {4,S} +3 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} + +OME1*-1 +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {3,S} {5,S} +3 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +5 C u1 p0 c0 {2,S} {11,S} {12,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} + +OME1*-2 +multiplicity 2 +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {4,S} {5,S} +3 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} +5 C u1 p0 c0 {1,S} {2,S} {12,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} + +(C2H4O2) +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} + +(C2H3O2) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u1 p0 c0 {1,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +(CHO2) +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,S} {2,D} {4,S} +4 H u0 p0 c0 {3,S} + +OME2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {5,S} {7,S} +4 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} +5 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +6 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +7 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} + +COCOCO* +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u1 p2 c0 {6,S} +4 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +5 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +6 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} + +OME2*-1 +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {5,S} {7,S} +4 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +5 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} +6 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +7 C u1 p0 c0 {3,S} {15,S} {16,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +OME2*-2 +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} +5 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +6 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +7 C u1 p0 c0 {2,S} {3,S} {16,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {7,S} + +COCOCHO +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {6,D} +4 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +5 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +6 C u0 p0 c0 {2,S} {3,D} {12,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} + +iOME2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {4,S} {7,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +5 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +6 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +7 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} + +(C3H7O3) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u1 p2 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +5 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +6 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} + +iOME2*-2 +multiplicity 2 +1 O u0 p2 c0 {4,S} {7,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {6,S} {7,S} +4 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +5 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} +6 C u0 p0 c0 {3,S} {14,S} {15,S} {16,S} +7 C u1 p0 c0 {1,S} {2,S} {3,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +iOME2*-1 +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {4,S} {7,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +5 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +6 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +7 C u1 p0 c0 {3,S} {15,S} {16,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +(C3H6O3) +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {5,S} {6,S} +3 O u0 p2 c0 {6,D} +4 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +5 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} +6 C u0 p0 c0 {1,S} {2,S} {3,D} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} + +(C2H3O3) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {5,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +5 C u0 p0 c0 {1,S} {2,S} {3,D} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} + +OME3 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {6,S} {7,S} +3 O u0 p2 c0 {5,S} {8,S} +4 O u0 p2 c0 {7,S} {9,S} +5 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +6 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +7 C u0 p0 c0 {2,S} {4,S} {14,S} {15,S} +8 C u0 p0 c0 {3,S} {16,S} {17,S} {18,S} +9 C u0 p0 c0 {4,S} {19,S} {20,S} {21,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +COCOCOCO* +multiplicity 2 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {6,S} {8,S} +4 O u1 p2 c0 {8,S} +5 C u0 p0 c0 {1,S} {2,S} {9,S} {10,S} +6 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +7 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +8 C u0 p0 c0 {3,S} {4,S} {16,S} {17,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} + +OME3*-1 +multiplicity 2 +1 O u0 p2 c0 {5,S} {7,S} +2 O u0 p2 c0 {5,S} {6,S} +3 O u0 p2 c0 {6,S} {8,S} +4 O u0 p2 c0 {7,S} {9,S} +5 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +6 C u0 p0 c0 {2,S} {3,S} {14,S} {15,S} +7 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +8 C u0 p0 c0 {3,S} {16,S} {17,S} {18,S} +9 C u1 p0 c0 {4,S} {19,S} {20,S} +10 H u0 p0 c0 {7,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} + +OME3*-2 +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {5,S} {6,S} +3 O u0 p2 c0 {7,S} {8,S} +4 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +5 C u0 p0 c0 {1,S} {2,S} {11,S} {12,S} +6 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +7 C u0 p0 c0 {3,S} {13,S} {14,S} {15,S} +8 C u1 p0 c0 {3,S} {4,S} {19,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} + +COCOCOCHO +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {6,S} {8,S} +4 O u0 p2 c0 {8,D} +5 C u0 p0 c0 {1,S} {2,S} {9,S} {10,S} +6 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +7 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +8 C u0 p0 c0 {3,S} {4,D} {16,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} + +OME3*-3 +multiplicity 2 +1 O u0 p2 c0 {4,S} {7,S} +2 O u0 p2 c0 {5,S} {6,S} +3 O u0 p2 c0 {5,S} {8,S} +4 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +5 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +6 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +7 C u0 p0 c0 {1,S} {16,S} {17,S} {18,S} +8 C u1 p0 c0 {3,S} {4,S} {19,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} + +COCOCOC*O +multiplicity 2 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {6,S} {8,S} +4 O u0 p2 c0 {8,D} +5 C u0 p0 c0 {1,S} {2,S} {9,S} {10,S} +6 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +7 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +8 C u1 p0 c0 {3,S} {4,D} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} + +COCOC*OCHO +multiplicity 2 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {7,S} {8,S} +4 O u0 p2 c0 {8,D} +5 C u0 p0 c0 {1,S} {2,S} {9,S} {10,S} +6 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +7 C u1 p0 c0 {2,S} {3,S} {14,S} +8 C u0 p0 c0 {3,S} {4,D} {15,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} + +COC*OCOCHO +multiplicity 2 +1 O u0 p2 c0 {5,S} {7,S} +2 O u0 p2 c0 {6,S} {7,S} +3 O u0 p2 c0 {5,S} {8,S} +4 O u0 p2 c0 {8,D} +5 C u0 p0 c0 {1,S} {3,S} {9,S} {10,S} +6 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} +7 C u1 p0 c0 {1,S} {2,S} {14,S} +8 C u0 p0 c0 {3,S} {4,D} {15,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} + +C*OCOCOCHO +multiplicity 2 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {6,S} {8,S} +4 O u0 p2 c0 {8,D} +5 C u0 p0 c0 {1,S} {2,S} {9,S} {10,S} +6 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +7 C u1 p0 c0 {2,S} {13,S} {14,S} +8 C u0 p0 c0 {3,S} {4,D} {15,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} + +OCOCHO +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} + +OCOCOCHO +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {6,D} +4 O u0 p2 c0 {7,D} +5 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} +6 C u0 p0 c0 {1,S} {3,D} {10,S} +7 C u0 p0 c0 {2,S} {4,D} {11,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {7,S} + +C*OCOCHO +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {6,D} +4 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +5 C u1 p0 c0 {1,S} {9,S} {10,S} +6 C u0 p0 c0 {2,S} {3,D} {11,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} + +COC*OCHO +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {5,S} {6,S} +3 O u0 p2 c0 {6,D} +4 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +5 C u1 p0 c0 {1,S} {2,S} {10,S} +6 C u0 p0 c0 {2,S} {3,D} {11,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} + +CH3OCH2O2 +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {3,S} {4,S} +3 O u1 p2 c0 {2,S} +4 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +5 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} + +CH3OCH2O2H +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {3,S} {4,S} +3 O u0 p2 c0 {2,S} {11,S} +4 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +5 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} + +OME4 +1 O u0 p2 c0 {6,S} {7,S} +2 O u0 p2 c0 {7,S} {8,S} +3 O u0 p2 c0 {8,S} {9,S} +4 O u0 p2 c0 {6,S} {10,S} +5 O u0 p2 c0 {9,S} {11,S} +6 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +7 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +8 C u0 p0 c0 {2,S} {3,S} {16,S} {17,S} +9 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} +10 C u0 p0 c0 {4,S} {20,S} {21,S} {22,S} +11 C u0 p0 c0 {5,S} {23,S} {24,S} {25,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} + +COCOCOCOCO* +multiplicity 2 +1 O u0 p2 c0 {6,S} {7,S} +2 O u0 p2 c0 {7,S} {8,S} +3 O u0 p2 c0 {6,S} {9,S} +4 O u0 p2 c0 {8,S} {10,S} +5 O u1 p2 c0 {10,S} +6 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +7 C u0 p0 c0 {1,S} {2,S} {13,S} {14,S} +8 C u0 p0 c0 {2,S} {4,S} {15,S} {16,S} +9 C u0 p0 c0 {3,S} {17,S} {18,S} {19,S} +10 C u0 p0 c0 {4,S} {5,S} {20,S} {21,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} + +OME4*-1 +multiplicity 2 +1 O u0 p2 c0 {6,S} {9,S} +2 O u0 p2 c0 {6,S} {7,S} +3 O u0 p2 c0 {7,S} {8,S} +4 O u0 p2 c0 {8,S} {10,S} +5 O u0 p2 c0 {9,S} {11,S} +6 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +7 C u0 p0 c0 {2,S} {3,S} {16,S} {17,S} +8 C u0 p0 c0 {3,S} {4,S} {18,S} {19,S} +9 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +10 C u0 p0 c0 {4,S} {20,S} {21,S} {22,S} +11 C u1 p0 c0 {5,S} {23,S} {24,S} +12 H u0 p0 c0 {9,S} +13 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {11,S} + +OME4*-2 +multiplicity 2 +1 O u0 p2 c0 {6,S} {8,S} +2 O u0 p2 c0 {6,S} {7,S} +3 O u0 p2 c0 {7,S} {9,S} +4 O u0 p2 c0 {8,S} {11,S} +5 O u0 p2 c0 {10,S} {11,S} +6 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +7 C u0 p0 c0 {2,S} {3,S} {16,S} {17,S} +8 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +9 C u0 p0 c0 {3,S} {21,S} {22,S} {23,S} +10 C u0 p0 c0 {5,S} {18,S} {19,S} {20,S} +11 C u1 p0 c0 {4,S} {5,S} {24,S} +12 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {11,S} + +COCOCOCOCHO +1 O u0 p2 c0 {6,S} {7,S} +2 O u0 p2 c0 {7,S} {8,S} +3 O u0 p2 c0 {6,S} {9,S} +4 O u0 p2 c0 {8,S} {10,S} +5 O u0 p2 c0 {10,D} +6 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +7 C u0 p0 c0 {1,S} {2,S} {13,S} {14,S} +8 C u0 p0 c0 {2,S} {4,S} {15,S} {16,S} +9 C u0 p0 c0 {3,S} {17,S} {18,S} {19,S} +10 C u0 p0 c0 {4,S} {5,D} {20,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} + +OME4*-3 +multiplicity 2 +1 O u0 p2 c0 {6,S} {8,S} +2 O u0 p2 c0 {7,S} {9,S} +3 O u0 p2 c0 {6,S} {10,S} +4 O u0 p2 c0 {7,S} {11,S} +5 O u0 p2 c0 {8,S} {11,S} +6 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +7 C u0 p0 c0 {2,S} {4,S} {12,S} {13,S} +8 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +9 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +10 C u0 p0 c0 {3,S} {21,S} {22,S} {23,S} +11 C u1 p0 c0 {4,S} {5,S} {24,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} + +COCOCOCOC*O +multiplicity 2 +1 O u0 p2 c0 {6,S} {7,S} +2 O u0 p2 c0 {7,S} {8,S} +3 O u0 p2 c0 {6,S} {9,S} +4 O u0 p2 c0 {8,S} {10,S} +5 O u0 p2 c0 {10,D} +6 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +7 C u0 p0 c0 {1,S} {2,S} {13,S} {14,S} +8 C u0 p0 c0 {2,S} {4,S} {15,S} {16,S} +9 C u0 p0 c0 {3,S} {17,S} {18,S} {19,S} +10 C u1 p0 c0 {4,S} {5,D} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} + +COCOCOC*OCHO +multiplicity 2 +1 O u0 p2 c0 {6,S} {7,S} +2 O u0 p2 c0 {6,S} {8,S} +3 O u0 p2 c0 {7,S} {9,S} +4 O u0 p2 c0 {9,S} {10,S} +5 O u0 p2 c0 {10,D} +6 C u0 p0 c0 {1,S} {2,S} {11,S} {12,S} +7 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} +8 C u0 p0 c0 {2,S} {15,S} {16,S} {17,S} +9 C u1 p0 c0 {3,S} {4,S} {18,S} +10 C u0 p0 c0 {4,S} {5,D} {19,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +COCOC*OCOCHO +multiplicity 2 +1 O u0 p2 c0 {6,S} {8,S} +2 O u0 p2 c0 {6,S} {9,S} +3 O u0 p2 c0 {7,S} {9,S} +4 O u0 p2 c0 {7,S} {10,S} +5 O u0 p2 c0 {10,D} +6 C u0 p0 c0 {1,S} {2,S} {11,S} {12,S} +7 C u0 p0 c0 {3,S} {4,S} {13,S} {14,S} +8 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +9 C u1 p0 c0 {2,S} {3,S} {18,S} +10 C u0 p0 c0 {4,S} {5,D} {19,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +COC*OCOCOCHO +multiplicity 2 +1 O u0 p2 c0 {6,S} {7,S} +2 O u0 p2 c0 {6,S} {9,S} +3 O u0 p2 c0 {8,S} {9,S} +4 O u0 p2 c0 {7,S} {10,S} +5 O u0 p2 c0 {10,D} +6 C u0 p0 c0 {1,S} {2,S} {11,S} {12,S} +7 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +8 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} +9 C u1 p0 c0 {2,S} {3,S} {18,S} +10 C u0 p0 c0 {4,S} {5,D} {19,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +C*OCOCOCOCHO +multiplicity 2 +1 O u0 p2 c0 {6,S} {7,S} +2 O u0 p2 c0 {6,S} {8,S} +3 O u0 p2 c0 {7,S} {9,S} +4 O u0 p2 c0 {8,S} {10,S} +5 O u0 p2 c0 {10,D} +6 C u0 p0 c0 {1,S} {2,S} {13,S} {14,S} +7 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +8 C u0 p0 c0 {2,S} {4,S} {15,S} {16,S} +9 C u1 p0 c0 {3,S} {17,S} {18,S} +10 C u0 p0 c0 {4,S} {5,D} {19,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +OCOCOCOCHO +1 O u0 p2 c0 {6,S} {7,S} +2 O u0 p2 c0 {6,S} {8,S} +3 O u0 p2 c0 {7,S} {9,S} +4 O u0 p2 c0 {8,D} +5 O u0 p2 c0 {9,D} +6 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +7 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} +8 C u0 p0 c0 {2,S} {4,D} {14,S} +9 C u0 p0 c0 {3,S} {5,D} {15,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {9,S} + +O*COCHO +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +5 C u0 p0 c0 {1,S} {3,D} {8,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} + +O*COCOCHO +multiplicity 2 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u1 p2 c0 {6,S} +4 O u0 p2 c0 {7,D} +5 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} +6 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +7 C u0 p0 c0 {2,S} {4,D} {12,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {7,S} + +OME5 +1 O u0 p2 c0 {7,S} {8,S} +2 O u0 p2 c0 {8,S} {9,S} +3 O u0 p2 c0 {9,S} {10,S} +4 O u0 p2 c0 {10,S} {11,S} +5 O u0 p2 c0 {7,S} {12,S} +6 O u0 p2 c0 {11,S} {13,S} +7 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +8 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} +9 C u0 p0 c0 {2,S} {3,S} {18,S} {19,S} +10 C u0 p0 c0 {3,S} {4,S} {20,S} {21,S} +11 C u0 p0 c0 {4,S} {6,S} {22,S} {23,S} +12 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} +13 C u0 p0 c0 {6,S} {27,S} {28,S} {29,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {13,S} +29 H u0 p0 c0 {13,S} + +COCOCOCOCOCO* +multiplicity 2 +1 O u0 p2 c0 {7,S} {8,S} +2 O u0 p2 c0 {8,S} {9,S} +3 O u0 p2 c0 {9,S} {10,S} +4 O u0 p2 c0 {7,S} {11,S} +5 O u0 p2 c0 {10,S} {12,S} +6 O u1 p2 c0 {12,S} +7 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +8 C u0 p0 c0 {1,S} {2,S} {15,S} {16,S} +9 C u0 p0 c0 {2,S} {3,S} {17,S} {18,S} +10 C u0 p0 c0 {3,S} {5,S} {19,S} {20,S} +11 C u0 p0 c0 {4,S} {21,S} {22,S} {23,S} +12 C u0 p0 c0 {5,S} {6,S} {24,S} {25,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {11,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {12,S} + +OME5*-1 +multiplicity 2 +1 O u0 p2 c0 {7,S} {11,S} +2 O u0 p2 c0 {7,S} {8,S} +3 O u0 p2 c0 {8,S} {9,S} +4 O u0 p2 c0 {9,S} {10,S} +5 O u0 p2 c0 {10,S} {12,S} +6 O u0 p2 c0 {11,S} {13,S} +7 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} +8 C u0 p0 c0 {2,S} {3,S} {18,S} {19,S} +9 C u0 p0 c0 {3,S} {4,S} {20,S} {21,S} +10 C u0 p0 c0 {4,S} {5,S} {22,S} {23,S} +11 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +12 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} +13 C u1 p0 c0 {6,S} {27,S} {28,S} +14 H u0 p0 c0 {11,S} +15 H u0 p0 c0 {11,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {13,S} + +OME5*-2 +multiplicity 2 +1 O u0 p2 c0 {7,S} {10,S} +2 O u0 p2 c0 {7,S} {8,S} +3 O u0 p2 c0 {8,S} {9,S} +4 O u0 p2 c0 {9,S} {11,S} +5 O u0 p2 c0 {10,S} {13,S} +6 O u0 p2 c0 {12,S} {13,S} +7 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} +8 C u0 p0 c0 {2,S} {3,S} {18,S} {19,S} +9 C u0 p0 c0 {3,S} {4,S} {20,S} {21,S} +10 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +11 C u0 p0 c0 {4,S} {25,S} {26,S} {27,S} +12 C u0 p0 c0 {6,S} {22,S} {23,S} {24,S} +13 C u1 p0 c0 {5,S} {6,S} {28,S} +14 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {10,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {12,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {13,S} + +COCOCOCOCOCHO +1 O u0 p2 c0 {7,S} {8,S} +2 O u0 p2 c0 {8,S} {9,S} +3 O u0 p2 c0 {9,S} {10,S} +4 O u0 p2 c0 {7,S} {11,S} +5 O u0 p2 c0 {10,S} {12,S} +6 O u0 p2 c0 {12,D} +7 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +8 C u0 p0 c0 {1,S} {2,S} {15,S} {16,S} +9 C u0 p0 c0 {2,S} {3,S} {17,S} {18,S} +10 C u0 p0 c0 {3,S} {5,S} {19,S} {20,S} +11 C u0 p0 c0 {4,S} {21,S} {22,S} {23,S} +12 C u0 p0 c0 {5,S} {6,D} {24,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {11,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {12,S} + +OME5*-3 +multiplicity 2 +1 O u0 p2 c0 {6,S} {7,S} +2 O u0 p2 c0 {7,S} {8,S} +3 O u0 p2 c0 {9,S} {10,S} +4 O u0 p2 c0 {8,S} {11,S} +5 O u0 p2 c0 {9,S} {12,S} +6 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +7 C u0 p0 c0 {1,S} {2,S} {17,S} {18,S} +8 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} +9 C u0 p0 c0 {3,S} {5,S} {15,S} {16,S} +10 C u0 p0 c0 {3,S} {21,S} {22,S} {23,S} +11 C u0 p0 c0 {4,S} {24,S} {25,S} {26,S} +12 C u1 p0 c0 {5,S} {6,S} {27,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} + +OME5*-4 +multiplicity 2 +1 O u0 p2 c0 {8,S} {11,S} +2 O u0 p2 c0 {9,S} {12,S} +3 O u0 p2 c0 {9,S} {10,S} +4 O u0 p2 c0 {8,S} {13,S} +5 O u0 p2 c0 {10,S} {14,S} +6 O u0 p2 c0 {11,S} {15,S} +7 O u0 p2 c0 {12,S} {15,S} +8 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} +9 C u0 p0 c0 {2,S} {3,S} {22,S} {23,S} +10 C u0 p0 c0 {3,S} {5,S} {24,S} {25,S} +11 C u0 p0 c0 {1,S} {6,S} {18,S} {19,S} +12 C u0 p0 c0 {2,S} {7,S} {20,S} {21,S} +13 C u0 p0 c0 {4,S} {26,S} {27,S} {28,S} +14 C u0 p0 c0 {5,S} {29,S} {30,S} {31,S} +15 C u1 p0 c0 {6,S} {7,S} {32,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {11,S} +19 H u0 p0 c0 {11,S} +20 H u0 p0 c0 {12,S} +21 H u0 p0 c0 {12,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {13,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {13,S} +29 H u0 p0 c0 {14,S} +30 H u0 p0 c0 {14,S} +31 H u0 p0 c0 {14,S} +32 H u0 p0 c0 {15,S} + +COCOCOCOCOC*O +multiplicity 2 +1 O u0 p2 c0 {7,S} {8,S} +2 O u0 p2 c0 {8,S} {9,S} +3 O u0 p2 c0 {9,S} {10,S} +4 O u0 p2 c0 {7,S} {11,S} +5 O u0 p2 c0 {10,S} {12,S} +6 O u0 p2 c0 {12,D} +7 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +8 C u0 p0 c0 {1,S} {2,S} {15,S} {16,S} +9 C u0 p0 c0 {2,S} {3,S} {17,S} {18,S} +10 C u0 p0 c0 {3,S} {5,S} {19,S} {20,S} +11 C u0 p0 c0 {4,S} {21,S} {22,S} {23,S} +12 C u1 p0 c0 {5,S} {6,D} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {11,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {11,S} + +COCOCOCOC*OCHO +multiplicity 2 +1 O u0 p2 c0 {7,S} {8,S} +2 O u0 p2 c0 {8,S} {9,S} +3 O u0 p2 c0 {7,S} {10,S} +4 O u0 p2 c0 {9,S} {11,S} +5 O u0 p2 c0 {11,S} {12,S} +6 O u0 p2 c0 {12,D} +7 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} +8 C u0 p0 c0 {1,S} {2,S} {15,S} {16,S} +9 C u0 p0 c0 {2,S} {4,S} {17,S} {18,S} +10 C u0 p0 c0 {3,S} {19,S} {20,S} {21,S} +11 C u1 p0 c0 {4,S} {5,S} {22,S} +12 C u0 p0 c0 {5,S} {6,D} {23,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} + +COCOCOC*OCOCHO +multiplicity 2 +1 O u0 p2 c0 {7,S} {8,S} +2 O u0 p2 c0 {7,S} {10,S} +3 O u0 p2 c0 {8,S} {11,S} +4 O u0 p2 c0 {9,S} {11,S} +5 O u0 p2 c0 {9,S} {12,S} +6 O u0 p2 c0 {12,D} +7 C u0 p0 c0 {1,S} {2,S} {13,S} {14,S} +8 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} +9 C u0 p0 c0 {4,S} {5,S} {17,S} {18,S} +10 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} +11 C u1 p0 c0 {3,S} {4,S} {22,S} +12 C u0 p0 c0 {5,S} {6,D} {23,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} + +COCOC*OCOCOCHO +multiplicity 2 +1 O u0 p2 c0 {8,S} {9,S} +2 O u0 p2 c0 {7,S} {10,S} +3 O u0 p2 c0 {7,S} {11,S} +4 O u0 p2 c0 {8,S} {11,S} +5 O u0 p2 c0 {9,S} {12,S} +6 O u0 p2 c0 {12,D} +7 C u0 p0 c0 {2,S} {3,S} {13,S} {14,S} +8 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} +9 C u0 p0 c0 {1,S} {5,S} {17,S} {18,S} +10 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} +11 C u1 p0 c0 {3,S} {4,S} {22,S} +12 C u0 p0 c0 {5,S} {6,D} {23,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} + +COC*OCOCOCOCHO +multiplicity 2 +1 O u0 p2 c0 {7,S} {8,S} +2 O u0 p2 c0 {7,S} {9,S} +3 O u0 p2 c0 {8,S} {11,S} +4 O u0 p2 c0 {10,S} {11,S} +5 O u0 p2 c0 {9,S} {12,S} +6 O u0 p2 c0 {12,D} +7 C u0 p0 c0 {1,S} {2,S} {15,S} {16,S} +8 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} +9 C u0 p0 c0 {2,S} {5,S} {17,S} {18,S} +10 C u0 p0 c0 {4,S} {19,S} {20,S} {21,S} +11 C u1 p0 c0 {3,S} {4,S} {22,S} +12 C u0 p0 c0 {5,S} {6,D} {23,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} + +C*OCOCOCOCOCHO +multiplicity 2 +1 O u0 p2 c0 {7,S} {9,S} +2 O u0 p2 c0 {7,S} {8,S} +3 O u0 p2 c0 {8,S} {10,S} +4 O u0 p2 c0 {9,S} {11,S} +5 O u0 p2 c0 {10,S} {12,S} +6 O u0 p2 c0 {12,D} +7 C u0 p0 c0 {1,S} {2,S} {15,S} {16,S} +8 C u0 p0 c0 {2,S} {3,S} {17,S} {18,S} +9 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +10 C u0 p0 c0 {3,S} {5,S} {19,S} {20,S} +11 C u1 p0 c0 {4,S} {21,S} {22,S} +12 C u0 p0 c0 {5,S} {6,D} {23,S} +13 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {11,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} + +OCOCOCOCOCHO +1 O u0 p2 c0 {7,S} {8,S} +2 O u0 p2 c0 {7,S} {9,S} +3 O u0 p2 c0 {8,S} {10,S} +4 O u0 p2 c0 {9,S} {11,S} +5 O u0 p2 c0 {10,D} +6 O u0 p2 c0 {11,D} +7 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +8 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} +9 C u0 p0 c0 {2,S} {4,S} {16,S} {17,S} +10 C u0 p0 c0 {3,S} {5,D} {18,S} +11 C u0 p0 c0 {4,S} {6,D} {19,S} +12 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {11,S} + +C5H8 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {3,D} {9,S} +3 C u0 p0 c0 {2,D} {4,S} {11,S} +4 C u0 p0 c0 {3,S} {5,D} {10,S} +5 C u0 p0 c0 {4,D} {12,S} {13,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} + +C5H9 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u1 p0 c0 {2,S} {11,S} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} + +iC5H9 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {2,S} {5,D} +4 C u1 p0 c0 {1,S} {11,S} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} + +C5H10 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {5,D} {13,S} +5 C u0 p0 c0 {4,D} {14,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} + +iC5H10 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {5,D} {13,S} +5 C u0 p0 c0 {4,D} {14,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} + +C5H11 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 C u1 p0 c0 {3,S} {15,S} {16,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} + +iC5H11 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 C u1 p0 c0 {2,S} {15,S} {16,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} + +C6H10 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {4,D} {12,S} +4 C u0 p0 c0 {3,D} {5,S} {14,S} +5 C u0 p0 c0 {4,S} {6,D} {13,S} +6 C u0 p0 c0 {5,D} {15,S} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C6H11 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {2,S} {5,S} {14,S} +5 C u0 p0 c0 {4,S} {6,D} {15,S} +6 C u0 p0 c0 {5,D} {16,S} {17,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C6H12 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {3,S} {6,D} {16,S} +6 C u0 p0 c0 {5,D} {17,S} {18,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} + +iC6H11 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {1,S} {5,S} {14,S} +5 C u0 p0 c0 {4,S} {6,D} {15,S} +6 C u0 p0 c0 {5,D} {16,S} {17,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +iC6H12 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {2,S} {6,D} {16,S} +6 C u0 p0 c0 {5,D} {17,S} {18,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} + +C6H13 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} +6 C u1 p0 c0 {4,S} {18,S} {19,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} + +iC6H13 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} +3 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +6 C u1 p0 c0 {3,S} {18,S} {19,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} + +N-C6H14 +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +4 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} +6 C u0 p0 c0 {4,S} {18,S} {19,S} {20,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} + +C7H13 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} +5 C u1 p0 c0 {3,S} {6,S} {17,S} +6 C u0 p0 c0 {5,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C7H14 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {6,S} {14,S} {15,S} +5 C u0 p0 c0 {3,S} {16,S} {17,S} {18,S} +6 C u0 p0 c0 {4,S} {7,D} {19,S} +7 C u0 p0 c0 {6,D} {20,S} {21,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} + +C7H15 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +4 C u0 p0 c0 {2,S} {6,S} {14,S} {15,S} +5 C u0 p0 c0 {3,S} {7,S} {16,S} {17,S} +6 C u0 p0 c0 {4,S} {18,S} {19,S} {20,S} +7 C u1 p0 c0 {5,S} {21,S} {22,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} + +N-C7H16 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} +3 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} +5 C u0 p0 c0 {3,S} {7,S} {16,S} {17,S} +6 C u0 p0 c0 {4,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {5,S} {21,S} {22,S} {23,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} + +I-C8H18 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} +3 C u0 p0 c0 {4,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {3,S} {14,S} {15,S} +5 C u0 p0 c0 {3,S} {8,S} {10,S} {11,S} +6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} +8 C u0 p0 c0 {5,S} {18,S} {19,S} {20,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} + +p-iC8H17 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +4 C u0 p0 c0 {2,S} {6,S} {15,S} {16,S} +5 C u0 p0 c0 {3,S} {8,S} {17,S} {18,S} +6 C u0 p0 c0 {4,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} +8 C u1 p0 c0 {5,S} {7,S} {25,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} + +s-iC8H17 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {8,S} {17,S} {18,S} +5 C u0 p0 c0 {7,S} {8,S} {15,S} {16,S} +6 C u0 p0 c0 {3,S} {22,S} {23,S} {24,S} +7 C u0 p0 c0 {5,S} {19,S} {20,S} {21,S} +8 C u1 p0 c0 {4,S} {5,S} {25,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {8,S} + +iC7H14 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {8,S} +2 C u0 p0 c0 {1,S} {3,S} {9,S} {10,S} +3 C u0 p0 c0 {2,S} {6,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {16,S} {17,S} {18,S} +6 C u0 p0 c0 {3,S} {7,D} {19,S} +7 C u0 p0 c0 {6,D} {20,S} {21,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} + +iC8H16 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} +3 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +4 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {16,S} {17,S} {18,S} +6 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {4,S} {8,D} {22,S} +8 C u0 p0 c0 {7,D} {23,S} {24,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {8,S} + +iC7H13 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 C u1 p0 c0 {2,S} {6,S} {17,S} +6 C u0 p0 c0 {5,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +iC8H15 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} +6 C u1 p0 c0 {3,S} {7,S} {20,S} +7 C u0 p0 c0 {6,S} {8,D} {21,S} +8 C u0 p0 c0 {7,D} {22,S} {23,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} + +iC7H15 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +4 C u0 p0 c0 {3,S} {7,S} {13,S} {14,S} +5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u1 p0 c0 {4,S} {21,S} {22,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} + +C8H16 +1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +4 C u0 p0 c0 {2,S} {6,S} {15,S} {16,S} +5 C u0 p0 c0 {3,S} {7,S} {17,S} {18,S} +6 C u0 p0 c0 {4,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {5,S} {8,D} {22,S} +8 C u0 p0 c0 {7,D} {23,S} {24,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {8,S} + +nC8H15 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {6,S} {15,S} {16,S} +5 C u0 p0 c0 {3,S} {17,S} {18,S} {19,S} +6 C u1 p0 c0 {4,S} {7,S} {20,S} +7 C u0 p0 c0 {6,S} {8,D} {21,S} +8 C u0 p0 c0 {7,D} {22,S} {23,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} + +nC8H17 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} +3 C u0 p0 c0 {2,S} {5,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} +5 C u0 p0 c0 {3,S} {7,S} {17,S} {18,S} +6 C u0 p0 c0 {4,S} {8,S} {19,S} {20,S} +7 C u0 p0 c0 {5,S} {21,S} {22,S} {23,S} +8 C u1 p0 c0 {6,S} {24,S} {25,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} + +N-C9H20 +1 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} +3 C u0 p0 c0 {2,S} {4,S} {16,S} {17,S} +4 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} +5 C u0 p0 c0 {4,S} {7,S} {20,S} {21,S} +6 C u0 p0 c0 {1,S} {8,S} {10,S} {11,S} +7 C u0 p0 c0 {5,S} {9,S} {22,S} {23,S} +8 C u0 p0 c0 {6,S} {24,S} {25,S} {26,S} +9 C u0 p0 c0 {7,S} {27,S} {28,S} {29,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} + +pC9H19 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} +3 C u0 p0 c0 {2,S} {4,S} {16,S} {17,S} +4 C u0 p0 c0 {3,S} {6,S} {18,S} {19,S} +5 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} +6 C u0 p0 c0 {4,S} {8,S} {20,S} {21,S} +7 C u0 p0 c0 {5,S} {9,S} {22,S} {23,S} +8 C u0 p0 c0 {6,S} {24,S} {25,S} {26,S} +9 C u1 p0 c0 {7,S} {27,S} {28,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} + +sC9H19 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} +3 C u0 p0 c0 {2,S} {5,S} {16,S} {17,S} +4 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +5 C u0 p0 c0 {3,S} {7,S} {18,S} {19,S} +6 C u0 p0 c0 {4,S} {9,S} {20,S} {21,S} +7 C u0 p0 c0 {5,S} {22,S} {23,S} {24,S} +8 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} +9 C u1 p0 c0 {6,S} {8,S} {28,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} + +nC9H18 +1 C u0 p0 c0 {2,S} {4,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} +3 C u0 p0 c0 {2,S} {5,S} {16,S} {17,S} +4 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +5 C u0 p0 c0 {3,S} {7,S} {18,S} {19,S} +6 C u0 p0 c0 {4,S} {8,S} {20,S} {21,S} +7 C u0 p0 c0 {5,S} {22,S} {23,S} {24,S} +8 C u0 p0 c0 {6,S} {9,D} {25,S} +9 C u0 p0 c0 {8,D} {26,S} {27,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {9,S} + +nC9H17 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {6,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {7,S} {18,S} {19,S} +6 C u0 p0 c0 {4,S} {20,S} {21,S} {22,S} +7 C u1 p0 c0 {5,S} {8,S} {23,S} +8 C u0 p0 c0 {7,S} {9,D} {24,S} +9 C u0 p0 c0 {8,D} {25,S} {26,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {9,S} + +N-C10H22 +1 C u0 p0 c0 {2,S} {7,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {4,S} {17,S} {18,S} +4 C u0 p0 c0 {3,S} {5,S} {19,S} {20,S} +5 C u0 p0 c0 {4,S} {6,S} {21,S} {22,S} +6 C u0 p0 c0 {5,S} {8,S} {23,S} {24,S} +7 C u0 p0 c0 {1,S} {9,S} {11,S} {12,S} +8 C u0 p0 c0 {6,S} {10,S} {25,S} {26,S} +9 C u0 p0 c0 {7,S} {27,S} {28,S} {29,S} +10 C u0 p0 c0 {8,S} {30,S} {31,S} {32,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} + +pC10H21 +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {4,S} {17,S} {18,S} +4 C u0 p0 c0 {3,S} {5,S} {19,S} {20,S} +5 C u0 p0 c0 {4,S} {7,S} {21,S} {22,S} +6 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} +7 C u0 p0 c0 {5,S} {9,S} {23,S} {24,S} +8 C u0 p0 c0 {6,S} {10,S} {25,S} {26,S} +9 C u0 p0 c0 {7,S} {27,S} {28,S} {29,S} +10 C u1 p0 c0 {8,S} {30,S} {31,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {10,S} + +sC10H21 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {4,S} {17,S} {18,S} +4 C u0 p0 c0 {3,S} {6,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +6 C u0 p0 c0 {4,S} {8,S} {21,S} {22,S} +7 C u0 p0 c0 {5,S} {10,S} {23,S} {24,S} +8 C u0 p0 c0 {6,S} {25,S} {26,S} {27,S} +9 C u0 p0 c0 {10,S} {28,S} {29,S} {30,S} +10 C u1 p0 c0 {7,S} {9,S} {31,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {10,S} + +nC10H20 +1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {4,S} {17,S} {18,S} +4 C u0 p0 c0 {3,S} {6,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +6 C u0 p0 c0 {4,S} {8,S} {21,S} {22,S} +7 C u0 p0 c0 {5,S} {9,S} {23,S} {24,S} +8 C u0 p0 c0 {6,S} {25,S} {26,S} {27,S} +9 C u0 p0 c0 {7,S} {10,D} {28,S} +10 C u0 p0 c0 {9,D} {29,S} {30,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {10,S} +30 H u0 p0 c0 {10,S} + +pC12H25 +multiplicity 2 +1 C u0 p0 c0 {2,S} {8,S} {15,S} {16,S} +2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} +3 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {5,S} {21,S} {22,S} +5 C u0 p0 c0 {4,S} {6,S} {23,S} {24,S} +6 C u0 p0 c0 {5,S} {7,S} {25,S} {26,S} +7 C u0 p0 c0 {6,S} {9,S} {27,S} {28,S} +8 C u0 p0 c0 {1,S} {10,S} {13,S} {14,S} +9 C u0 p0 c0 {7,S} {11,S} {29,S} {30,S} +10 C u0 p0 c0 {8,S} {12,S} {31,S} {32,S} +11 C u0 p0 c0 {9,S} {33,S} {34,S} {35,S} +12 C u1 p0 c0 {10,S} {36,S} {37,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {7,S} +28 H u0 p0 c0 {7,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} +33 H u0 p0 c0 {11,S} +34 H u0 p0 c0 {11,S} +35 H u0 p0 c0 {11,S} +36 H u0 p0 c0 {12,S} +37 H u0 p0 c0 {12,S} + +N-C12H26 +1 C u0 p0 c0 {2,S} {9,S} {15,S} {16,S} +2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} +3 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {5,S} {21,S} {22,S} +5 C u0 p0 c0 {4,S} {6,S} {23,S} {24,S} +6 C u0 p0 c0 {5,S} {7,S} {25,S} {26,S} +7 C u0 p0 c0 {6,S} {8,S} {27,S} {28,S} +8 C u0 p0 c0 {7,S} {10,S} {29,S} {30,S} +9 C u0 p0 c0 {1,S} {11,S} {13,S} {14,S} +10 C u0 p0 c0 {8,S} {12,S} {31,S} {32,S} +11 C u0 p0 c0 {9,S} {33,S} {34,S} {35,S} +12 C u0 p0 c0 {10,S} {36,S} {37,S} {38,S} +13 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {7,S} +28 H u0 p0 c0 {7,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {8,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} +33 H u0 p0 c0 {11,S} +34 H u0 p0 c0 {11,S} +35 H u0 p0 c0 {11,S} +36 H u0 p0 c0 {12,S} +37 H u0 p0 c0 {12,S} +38 H u0 p0 c0 {12,S} + +sC12H25 +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {15,S} {16,S} +2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} +3 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {5,S} {21,S} {22,S} +5 C u0 p0 c0 {4,S} {6,S} {23,S} {24,S} +6 C u0 p0 c0 {5,S} {8,S} {25,S} {26,S} +7 C u0 p0 c0 {1,S} {9,S} {13,S} {14,S} +8 C u0 p0 c0 {6,S} {10,S} {27,S} {28,S} +9 C u0 p0 c0 {7,S} {12,S} {29,S} {30,S} +10 C u0 p0 c0 {8,S} {31,S} {32,S} {33,S} +11 C u0 p0 c0 {12,S} {34,S} {35,S} {36,S} +12 C u1 p0 c0 {9,S} {11,S} {37,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} +33 H u0 p0 c0 {10,S} +34 H u0 p0 c0 {11,S} +35 H u0 p0 c0 {11,S} +36 H u0 p0 c0 {11,S} +37 H u0 p0 c0 {12,S} + +nC12H24 +1 C u0 p0 c0 {2,S} {7,S} {15,S} {16,S} +2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} +3 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {5,S} {21,S} {22,S} +5 C u0 p0 c0 {4,S} {6,S} {23,S} {24,S} +6 C u0 p0 c0 {5,S} {8,S} {25,S} {26,S} +7 C u0 p0 c0 {1,S} {9,S} {13,S} {14,S} +8 C u0 p0 c0 {6,S} {10,S} {27,S} {28,S} +9 C u0 p0 c0 {7,S} {11,S} {29,S} {30,S} +10 C u0 p0 c0 {8,S} {31,S} {32,S} {33,S} +11 C u0 p0 c0 {9,S} {12,D} {34,S} +12 C u0 p0 c0 {11,D} {35,S} {36,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} +33 H u0 p0 c0 {10,S} +34 H u0 p0 c0 {11,S} +35 H u0 p0 c0 {12,S} +36 H u0 p0 c0 {12,S} + +nC12H23 +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {15,S} {16,S} +2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} +3 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {5,S} {21,S} {22,S} +5 C u0 p0 c0 {4,S} {7,S} {23,S} {24,S} +6 C u0 p0 c0 {1,S} {8,S} {13,S} {14,S} +7 C u0 p0 c0 {5,S} {9,S} {25,S} {26,S} +8 C u0 p0 c0 {6,S} {10,S} {27,S} {28,S} +9 C u0 p0 c0 {7,S} {29,S} {30,S} {31,S} +10 C u1 p0 c0 {8,S} {11,S} {32,S} +11 C u0 p0 c0 {10,S} {12,D} {33,S} +12 C u0 p0 c0 {11,D} {34,S} {35,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {9,S} +32 H u0 p0 c0 {10,S} +33 H u0 p0 c0 {11,S} +34 H u0 p0 c0 {12,S} +35 H u0 p0 c0 {12,S} + +C16H33 +multiplicity 2 +1 C u0 p0 c0 {2,S} {12,S} {19,S} {20,S} +2 C u0 p0 c0 {1,S} {3,S} {21,S} {22,S} +3 C u0 p0 c0 {2,S} {4,S} {23,S} {24,S} +4 C u0 p0 c0 {3,S} {5,S} {25,S} {26,S} +5 C u0 p0 c0 {4,S} {6,S} {27,S} {28,S} +6 C u0 p0 c0 {5,S} {7,S} {29,S} {30,S} +7 C u0 p0 c0 {6,S} {8,S} {31,S} {32,S} +8 C u0 p0 c0 {7,S} {9,S} {33,S} {34,S} +9 C u0 p0 c0 {8,S} {10,S} {35,S} {36,S} +10 C u0 p0 c0 {9,S} {11,S} {37,S} {38,S} +11 C u0 p0 c0 {10,S} {13,S} {39,S} {40,S} +12 C u0 p0 c0 {1,S} {14,S} {17,S} {18,S} +13 C u0 p0 c0 {11,S} {15,S} {41,S} {42,S} +14 C u0 p0 c0 {12,S} {16,S} {43,S} {44,S} +15 C u0 p0 c0 {13,S} {45,S} {46,S} {47,S} +16 C u1 p0 c0 {14,S} {48,S} {49,S} +17 H u0 p0 c0 {12,S} +18 H u0 p0 c0 {12,S} +19 H u0 p0 c0 {1,S} +20 H u0 p0 c0 {1,S} +21 H u0 p0 c0 {2,S} +22 H u0 p0 c0 {2,S} +23 H u0 p0 c0 {3,S} +24 H u0 p0 c0 {3,S} +25 H u0 p0 c0 {4,S} +26 H u0 p0 c0 {4,S} +27 H u0 p0 c0 {5,S} +28 H u0 p0 c0 {5,S} +29 H u0 p0 c0 {6,S} +30 H u0 p0 c0 {6,S} +31 H u0 p0 c0 {7,S} +32 H u0 p0 c0 {7,S} +33 H u0 p0 c0 {8,S} +34 H u0 p0 c0 {8,S} +35 H u0 p0 c0 {9,S} +36 H u0 p0 c0 {9,S} +37 H u0 p0 c0 {10,S} +38 H u0 p0 c0 {10,S} +39 H u0 p0 c0 {11,S} +40 H u0 p0 c0 {11,S} +41 H u0 p0 c0 {13,S} +42 H u0 p0 c0 {13,S} +43 H u0 p0 c0 {14,S} +44 H u0 p0 c0 {14,S} +45 H u0 p0 c0 {15,S} +46 H u0 p0 c0 {15,S} +47 H u0 p0 c0 {15,S} +48 H u0 p0 c0 {16,S} +49 H u0 p0 c0 {16,S} + +N-C16H34 +1 C u0 p0 c0 {2,S} {13,S} {19,S} {20,S} +2 C u0 p0 c0 {1,S} {3,S} {21,S} {22,S} +3 C u0 p0 c0 {2,S} {4,S} {23,S} {24,S} +4 C u0 p0 c0 {3,S} {5,S} {25,S} {26,S} +5 C u0 p0 c0 {4,S} {6,S} {27,S} {28,S} +6 C u0 p0 c0 {5,S} {7,S} {29,S} {30,S} +7 C u0 p0 c0 {6,S} {8,S} {31,S} {32,S} +8 C u0 p0 c0 {7,S} {9,S} {33,S} {34,S} +9 C u0 p0 c0 {8,S} {10,S} {35,S} {36,S} +10 C u0 p0 c0 {9,S} {11,S} {37,S} {38,S} +11 C u0 p0 c0 {10,S} {12,S} {39,S} {40,S} +12 C u0 p0 c0 {11,S} {14,S} {41,S} {42,S} +13 C u0 p0 c0 {1,S} {15,S} {17,S} {18,S} +14 C u0 p0 c0 {12,S} {16,S} {43,S} {44,S} +15 C u0 p0 c0 {13,S} {45,S} {46,S} {47,S} +16 C u0 p0 c0 {14,S} {48,S} {49,S} {50,S} +17 H u0 p0 c0 {13,S} +18 H u0 p0 c0 {13,S} +19 H u0 p0 c0 {1,S} +20 H u0 p0 c0 {1,S} +21 H u0 p0 c0 {2,S} +22 H u0 p0 c0 {2,S} +23 H u0 p0 c0 {3,S} +24 H u0 p0 c0 {3,S} +25 H u0 p0 c0 {4,S} +26 H u0 p0 c0 {4,S} +27 H u0 p0 c0 {5,S} +28 H u0 p0 c0 {5,S} +29 H u0 p0 c0 {6,S} +30 H u0 p0 c0 {6,S} +31 H u0 p0 c0 {7,S} +32 H u0 p0 c0 {7,S} +33 H u0 p0 c0 {8,S} +34 H u0 p0 c0 {8,S} +35 H u0 p0 c0 {9,S} +36 H u0 p0 c0 {9,S} +37 H u0 p0 c0 {10,S} +38 H u0 p0 c0 {10,S} +39 H u0 p0 c0 {11,S} +40 H u0 p0 c0 {11,S} +41 H u0 p0 c0 {12,S} +42 H u0 p0 c0 {12,S} +43 H u0 p0 c0 {14,S} +44 H u0 p0 c0 {14,S} +45 H u0 p0 c0 {15,S} +46 H u0 p0 c0 {15,S} +47 H u0 p0 c0 {15,S} +48 H u0 p0 c0 {16,S} +49 H u0 p0 c0 {16,S} +50 H u0 p0 c0 {16,S} + +C16H32 +1 C u0 p0 c0 {2,S} {11,S} {19,S} {20,S} +2 C u0 p0 c0 {1,S} {3,S} {21,S} {22,S} +3 C u0 p0 c0 {2,S} {4,S} {23,S} {24,S} +4 C u0 p0 c0 {3,S} {5,S} {25,S} {26,S} +5 C u0 p0 c0 {4,S} {6,S} {27,S} {28,S} +6 C u0 p0 c0 {5,S} {7,S} {29,S} {30,S} +7 C u0 p0 c0 {6,S} {8,S} {31,S} {32,S} +8 C u0 p0 c0 {7,S} {9,S} {33,S} {34,S} +9 C u0 p0 c0 {8,S} {10,S} {35,S} {36,S} +10 C u0 p0 c0 {9,S} {12,S} {37,S} {38,S} +11 C u0 p0 c0 {1,S} {13,S} {17,S} {18,S} +12 C u0 p0 c0 {10,S} {14,S} {39,S} {40,S} +13 C u0 p0 c0 {11,S} {15,S} {41,S} {42,S} +14 C u0 p0 c0 {12,S} {43,S} {44,S} {45,S} +15 C u0 p0 c0 {13,S} {16,D} {46,S} +16 C u0 p0 c0 {15,D} {47,S} {48,S} +17 H u0 p0 c0 {11,S} +18 H u0 p0 c0 {11,S} +19 H u0 p0 c0 {1,S} +20 H u0 p0 c0 {1,S} +21 H u0 p0 c0 {2,S} +22 H u0 p0 c0 {2,S} +23 H u0 p0 c0 {3,S} +24 H u0 p0 c0 {3,S} +25 H u0 p0 c0 {4,S} +26 H u0 p0 c0 {4,S} +27 H u0 p0 c0 {5,S} +28 H u0 p0 c0 {5,S} +29 H u0 p0 c0 {6,S} +30 H u0 p0 c0 {6,S} +31 H u0 p0 c0 {7,S} +32 H u0 p0 c0 {7,S} +33 H u0 p0 c0 {8,S} +34 H u0 p0 c0 {8,S} +35 H u0 p0 c0 {9,S} +36 H u0 p0 c0 {9,S} +37 H u0 p0 c0 {10,S} +38 H u0 p0 c0 {10,S} +39 H u0 p0 c0 {12,S} +40 H u0 p0 c0 {12,S} +41 H u0 p0 c0 {13,S} +42 H u0 p0 c0 {13,S} +43 H u0 p0 c0 {14,S} +44 H u0 p0 c0 {14,S} +45 H u0 p0 c0 {14,S} +46 H u0 p0 c0 {15,S} +47 H u0 p0 c0 {16,S} +48 H u0 p0 c0 {16,S} + +cyC6H12 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {3,S} {9,S} {10,S} +3 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +4 C u0 p0 c0 {3,S} {5,S} {13,S} {14,S} +5 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} +6 C u0 p0 c0 {1,S} {5,S} {17,S} {18,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} + +cyC6H11 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} +6 C u1 p0 c0 {4,S} {5,S} {17,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} + +cyC6H10 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +5 C u0 p0 c0 {4,S} {6,D} {15,S} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} + +cyC6H9 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +4 C u1 p0 c0 {3,S} {6,S} {13,S} +5 C u0 p0 c0 {2,S} {6,D} {14,S} +6 C u0 p0 c0 {4,S} {5,D} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} + +cyC6H8 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} + +cyC6H7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u1 p0 c0 {1,S} {4,S} {9,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {12,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {5,S} + +A1 +1 C u0 p0 c0 {2,B} {6,B} {7,S} +2 C u0 p0 c0 {1,B} {3,B} {8,S} +3 C u0 p0 c0 {2,B} {4,B} {9,S} +4 C u0 p0 c0 {3,B} {5,B} {10,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {1,B} {5,B} {12,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} + +cyclopentadiene +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +cyC5H8 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +4 C u0 p0 c0 {3,S} {5,D} {12,S} +5 C u0 p0 c0 {2,S} {4,D} {13,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} + +cyC5H7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} +3 C u1 p0 c0 {2,S} {5,S} {10,S} +4 C u0 p0 c0 {1,S} {5,D} {11,S} +5 C u0 p0 c0 {3,S} {4,D} {12,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} + +cyC6H10OH +multiplicity 2 +1 O u0 p2 c0 {2,S} {18,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {3,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {6,S} {9,S} {10,S} +6 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} +7 C u1 p0 c0 {2,S} {6,S} {17,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {1,S} + +(Acrolein) +1 O u0 p2 c0 {4,D} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u0 p0 c0 {2,D} {6,S} {7,S} +4 C u0 p0 c0 {1,D} {2,S} {8,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} + +C5H5 +multiplicity 2 +1 C u1 p0 c0 {2,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {4,S} {8,S} +4 C u0 p0 c0 {3,S} {5,D} {9,S} +5 C u0 p0 c0 {1,S} {4,D} {10,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} + +C5H5O +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 O u0 p2 c0 {7,D} +3 C u0 p0 c0 {1,S} {4,S} {6,S} {8,S} +4 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} +5 C u0 p0 c0 {4,S} {7,S} {11,S} {12,S} +6 C u0 p0 c0 {3,S} {7,S} {13,S} {14,S} +7 C u0 p0 c0 {2,D} {5,S} {6,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} + +C5H4O +1 O u0 p2 c0 {6,D} +2 O u0 p2 c0 {7,D} +3 C u0 p0 c0 {4,S} {7,S} {8,S} {9,S} +4 C u0 p0 c0 {3,S} {6,S} {10,S} {11,S} +5 C u0 p0 c0 {6,S} {7,S} {12,S} {13,S} +6 C u0 p0 c0 {1,D} {4,S} {5,S} +7 C u0 p0 c0 {2,D} {3,S} {5,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} + +cyC6H11OO +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {9,S} +4 C u0 p0 c0 {3,S} {6,S} {10,S} {11,S} +5 C u0 p0 c0 {3,S} {8,S} {18,S} {19,S} +6 C u0 p0 c0 {4,S} {7,S} {12,S} {13,S} +7 C u0 p0 c0 {6,S} {8,S} {14,S} {15,S} +8 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} + +cyC6H10OOH +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {19,S} +3 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +4 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} +5 C u0 p0 c0 {3,S} {4,S} {14,S} {15,S} +6 C u0 p0 c0 {4,S} {7,S} {10,S} {11,S} +7 C u0 p0 c0 {6,S} {8,S} {16,S} {17,S} +8 C u1 p0 c0 {3,S} {7,S} {18,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {2,S} + +cyC6H11OOH +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {20,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {9,S} +4 C u0 p0 c0 {3,S} {6,S} {10,S} {11,S} +5 C u0 p0 c0 {3,S} {8,S} {18,S} {19,S} +6 C u0 p0 c0 {4,S} {7,S} {12,S} {13,S} +7 C u0 p0 c0 {6,S} {8,S} {14,S} {15,S} +8 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {2,S} + +cyC6H11O +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} +3 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +4 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} +5 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +6 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} +7 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +cyOOC6H10OOH +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {1,S} {21,S} +4 O u0 p2 c0 {2,S} {22,S} +5 C u0 p0 c0 {1,S} {6,S} {7,S} {11,S} +6 C u0 p0 c0 {2,S} {5,S} {8,S} {12,S} +7 C u0 p0 c0 {5,S} {9,S} {13,S} {14,S} +8 C u0 p0 c0 {6,S} {10,S} {19,S} {20,S} +9 C u0 p0 c0 {7,S} {10,S} {15,S} {16,S} +10 C u0 p0 c0 {8,S} {9,S} {17,S} {18,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {3,S} +22 H u0 p0 c0 {4,S} + +cyOC6H9OOH +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {20,S} +3 O u1 p2 c0 {5,S} +4 C u0 p0 c0 {1,S} {5,S} {6,S} {10,S} +5 C u0 p0 c0 {3,S} {4,S} {7,S} {11,S} +6 C u0 p0 c0 {4,S} {9,S} {18,S} {19,S} +7 C u0 p0 c0 {5,S} {8,S} {12,S} {13,S} +8 C u0 p0 c0 {7,S} {9,S} {14,S} {15,S} +9 C u0 p0 c0 {6,S} {8,S} {16,S} {17,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {2,S} + +cyC6H9O +multiplicity 2 +1 O u0 p2 c0 {7,D} +2 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +5 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +6 C u1 p0 c0 {4,S} {7,S} {16,S} +7 C u0 p0 c0 {1,D} {5,S} {6,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} + +cyC9H18 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 C u0 p0 c0 {1,S} {8,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {7,S} {23,S} {24,S} +5 C u0 p0 c0 {3,S} {6,S} {17,S} {18,S} +6 C u0 p0 c0 {5,S} {7,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {6,S} {21,S} {22,S} +8 C u0 p0 c0 {2,S} {9,S} {11,S} {12,S} +9 C u0 p0 c0 {8,S} {25,S} {26,S} {27,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {4,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {9,S} + +cyC7H13 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,S} {17,S} {18,S} +4 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +5 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +6 C u0 p0 c0 {3,S} {5,S} {15,S} {16,S} +7 C u1 p0 c0 {1,S} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +cyC8H15 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {6,S} {18,S} {19,S} +4 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +5 C u0 p0 c0 {4,S} {6,S} {14,S} {15,S} +6 C u0 p0 c0 {3,S} {5,S} {16,S} {17,S} +7 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} +8 C u1 p0 c0 {1,S} {7,S} {23,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} + +cyC9H17B +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {6,S} {19,S} {20,S} +4 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +5 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} +6 C u0 p0 c0 {3,S} {5,S} {17,S} {18,S} +7 C u0 p0 c0 {1,S} {9,S} {21,S} {22,S} +8 C u0 p0 c0 {9,S} {23,S} {24,S} {25,S} +9 C u1 p0 c0 {7,S} {8,S} {26,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {9,S} + +cyC9H17E +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {4,S} {17,S} {18,S} +4 C u0 p0 c0 {3,S} {7,S} {15,S} {16,S} +5 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} +6 C u0 p0 c0 {1,S} {9,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {9,S} {21,S} {22,S} +8 C u0 p0 c0 {5,S} {23,S} {24,S} {25,S} +9 C u1 p0 c0 {6,S} {7,S} {26,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {9,S} + +cyC8H14 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {6,S} {18,S} {19,S} +4 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +5 C u0 p0 c0 {4,S} {6,S} {14,S} {15,S} +6 C u0 p0 c0 {3,S} {5,S} {16,S} {17,S} +7 C u0 p0 c0 {1,S} {8,D} {20,S} +8 C u0 p0 c0 {7,D} {21,S} {22,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {8,S} + +cyC7H12 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {6,S} {14,S} {15,S} +5 C u0 p0 c0 {3,S} {6,S} {16,S} {17,S} +6 C u0 p0 c0 {4,S} {5,S} {7,D} +7 C u0 p0 c0 {6,D} {18,S} {19,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} + +A1- +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {8,S} +2 C u0 p0 c0 {1,B} {4,B} {7,S} +3 C u0 p0 c0 {1,B} {5,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 C u1 p0 c0 {4,B} {5,B} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +C6H5O +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,B} {7,B} +3 C u0 p0 c0 {2,B} {4,B} {8,S} +4 C u0 p0 c0 {3,B} {5,B} {9,S} +5 C u0 p0 c0 {4,B} {6,B} {10,S} +6 C u0 p0 c0 {5,B} {7,B} {11,S} +7 C u0 p0 c0 {2,B} {6,B} {12,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {7,S} + +C6H5OH +1 O u0 p2 c0 {2,S} {13,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {8,S} +4 C u0 p0 c0 {2,B} {7,B} {12,S} +5 C u0 p0 c0 {3,B} {6,B} {9,S} +6 C u0 p0 c0 {5,B} {7,B} {10,S} +7 C u0 p0 c0 {4,B} {6,B} {11,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {1,S} + +C7H8 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} + +C7H7 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {12,S} +4 C u0 p0 c0 {2,B} {5,B} {9,S} +5 C u0 p0 c0 {4,B} {6,B} {10,S} +6 C u0 p0 c0 {3,B} {5,B} {11,S} +7 C u1 p0 c0 {1,S} {13,S} {14,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} + +A1C2H +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {2,B} {5,B} {10,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 C u0 p0 c0 {1,S} {8,T} +8 C u0 p0 c0 {7,T} {14,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {8,S} + +A1C2H- +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {2,B} {5,B} {10,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 C u0 p0 c0 {1,S} {8,T} +8 C u1 p0 c0 {7,T} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {3,S} + +A1C2H2 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {2,B} {5,B} {10,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 C u0 p0 c0 {1,S} {8,D} {14,S} +8 C u1 p0 c0 {7,D} {15,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} + +A1C2H3 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {10,S} +3 C u0 p0 c0 {1,B} {7,B} {14,S} +4 C u0 p0 c0 {1,S} {8,D} {9,S} +5 C u0 p0 c0 {2,B} {6,B} {11,S} +6 C u0 p0 c0 {5,B} {7,B} {12,S} +7 C u0 p0 c0 {3,B} {6,B} {13,S} +8 C u0 p0 c0 {4,D} {15,S} {16,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} + +A1C2H3* +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,S} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,S} {7,D} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {1,B} {8,B} {12,S} +6 C u0 p0 c0 {4,B} {8,B} {13,S} +7 C u0 p0 c0 {3,D} {14,S} {15,S} +8 C u1 p0 c0 {5,B} {6,B} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} + +INDENE +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {5,B} +3 C u0 p0 c0 {2,B} {6,S} {7,B} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {2,B} {9,B} {15,S} +6 C u0 p0 c0 {3,S} {4,D} {17,S} +7 C u0 p0 c0 {3,B} {8,B} {14,S} +8 C u0 p0 c0 {7,B} {9,B} {13,S} +9 C u0 p0 c0 {5,B} {8,B} {16,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} + +INDANYL-2 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {3,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {2,S} {4,B} {6,B} +4 C u0 p0 c0 {1,S} {3,B} {7,B} +5 C u1 p0 c0 {1,S} {2,S} {14,S} +6 C u0 p0 c0 {3,B} {8,B} {16,S} +7 C u0 p0 c0 {4,B} {9,B} {17,S} +8 C u0 p0 c0 {6,B} {9,B} {15,S} +9 C u0 p0 c0 {7,B} {8,B} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {9,S} + +INDANE +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +4 C u0 p0 c0 {3,S} {5,B} {6,B} +5 C u0 p0 c0 {2,S} {4,B} {7,B} +6 C u0 p0 c0 {4,B} {8,B} {17,S} +7 C u0 p0 c0 {5,B} {9,B} {18,S} +8 C u0 p0 c0 {6,B} {9,B} {16,S} +9 C u0 p0 c0 {7,B} {8,B} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {9,S} + +INDANYL-1 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {5,S} {7,B} +5 C u1 p0 c0 {2,S} {4,S} {14,S} +6 C u0 p0 c0 {3,B} {9,B} {18,S} +7 C u0 p0 c0 {4,B} {8,B} {15,S} +8 C u0 p0 c0 {7,B} {9,B} {16,S} +9 C u0 p0 c0 {6,B} {8,B} {17,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {6,S} + +C6H4C2H3CH3 +1 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {9,D} +3 C u0 p0 c0 {2,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {13,S} +5 C u0 p0 c0 {3,B} {8,B} {17,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {6,B} {8,B} {15,S} +8 C u0 p0 c0 {5,B} {7,B} {16,S} +9 C u0 p0 c0 {2,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} + +C6H4C2H3CH2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 C u0 p0 c0 {1,S} {8,S} {9,D} +3 C u0 p0 c0 {1,B} {5,B} {10,S} +4 C u0 p0 c0 {1,B} {7,B} {14,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 C u0 p0 c0 {5,B} {7,B} {12,S} +7 C u0 p0 c0 {4,B} {6,B} {13,S} +8 C u1 p0 c0 {2,S} {15,S} {16,S} +9 C u0 p0 c0 {2,D} {17,S} {18,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} + +C6H4C3H5 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 C u0 p0 c0 {1,S} {8,D} {11,S} +3 C u0 p0 c0 {1,B} {5,B} {12,S} +4 C u0 p0 c0 {1,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 C u0 p0 c0 {2,D} {9,S} {10,S} +9 C u1 p0 c0 {8,S} {17,S} {18,S} +10 H u0 p0 c0 {8,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} + +A1C3H4 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 C u1 p0 c0 {1,S} {8,S} {11,S} +3 C u0 p0 c0 {1,B} {5,B} {12,S} +4 C u0 p0 c0 {1,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 C u0 p0 c0 {2,S} {9,D} {10,S} +9 C u0 p0 c0 {8,D} {17,S} {18,S} +10 H u0 p0 c0 {8,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} + +INDENYL +multiplicity 2 +1 C u0 p0 c0 {2,B} {4,S} {6,B} +2 C u0 p0 c0 {1,B} {3,S} {5,B} +3 C u1 p0 c0 {2,S} {7,S} {10,S} +4 C u0 p0 c0 {1,S} {7,D} {12,S} +5 C u0 p0 c0 {2,B} {8,B} {13,S} +6 C u0 p0 c0 {1,B} {9,B} {16,S} +7 C u0 p0 c0 {3,S} {4,D} {11,S} +8 C u0 p0 c0 {5,B} {9,B} {14,S} +9 C u0 p0 c0 {6,B} {8,B} {15,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {6,S} + +pbz +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {5,B} {6,B} +5 C u0 p0 c0 {4,B} {7,B} {17,S} +6 C u0 p0 c0 {4,B} {9,B} {21,S} +7 C u0 p0 c0 {5,B} {8,B} {18,S} +8 C u0 p0 c0 {7,B} {9,B} {19,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {6,S} + +C9H11 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {5,B} {6,B} +4 C u1 p0 c0 {1,S} {2,S} {15,S} +5 C u0 p0 c0 {3,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {9,B} {20,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {6,S} + +A1C2H4 +multiplicity 2 +1 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +2 C u0 p0 c0 {3,S} {4,B} {5,B} +3 C u1 p0 c0 {1,S} {2,S} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {8,B} {17,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {6,B} {8,B} {15,S} +8 C u0 p0 c0 {5,B} {7,B} {16,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {5,S} + +A1C3H5 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 C u0 p0 c0 {1,S} {9,D} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {8,B} {17,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {6,B} {8,B} {15,S} +8 C u0 p0 c0 {5,B} {7,B} {16,S} +9 C u0 p0 c0 {3,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} + +ebz +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {8,B} {18,S} +6 C u0 p0 c0 {4,B} {7,B} {15,S} +7 C u0 p0 c0 {6,B} {8,B} {16,S} +8 C u0 p0 c0 {5,B} {7,B} {17,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {5,S} + +C10H12 +1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {5,S} {17,S} {18,S} +5 C u0 p0 c0 {4,S} {6,B} {7,B} +6 C u0 p0 c0 {3,S} {5,B} {8,B} +7 C u0 p0 c0 {5,B} {9,B} {20,S} +8 C u0 p0 c0 {6,B} {10,B} {21,S} +9 C u0 p0 c0 {7,B} {10,B} {19,S} +10 C u0 p0 c0 {8,B} {9,B} {22,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {10,S} + +C10H11 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {5,B} {7,B} +5 C u0 p0 c0 {4,B} {6,S} {8,B} +6 C u1 p0 c0 {3,S} {5,S} {17,S} +7 C u0 p0 c0 {4,B} {10,B} {21,S} +8 C u0 p0 c0 {5,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {19,S} +10 C u0 p0 c0 {7,B} {9,B} {20,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {7,S} + +A2 +1 C u0 p0 c0 {2,B} {3,B} {6,B} +2 C u0 p0 c0 {1,B} {4,B} {5,B} +3 C u0 p0 c0 {1,B} {7,B} {12,S} +4 C u0 p0 c0 {2,B} {8,B} {13,S} +5 C u0 p0 c0 {2,B} {9,B} {15,S} +6 C u0 p0 c0 {1,B} {10,B} {18,S} +7 C u0 p0 c0 {3,B} {8,B} {11,S} +8 C u0 p0 c0 {4,B} {7,B} {14,S} +9 C u0 p0 c0 {5,B} {10,B} {16,S} +10 C u0 p0 c0 {6,B} {9,B} {17,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {6,S} + +DECALIN +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} +3 C u0 p0 c0 {1,S} {8,S} {17,S} {18,S} +4 C u0 p0 c0 {1,S} {9,S} {19,S} {20,S} +5 C u0 p0 c0 {2,S} {10,S} {25,S} {26,S} +6 C u0 p0 c0 {2,S} {7,S} {27,S} {28,S} +7 C u0 p0 c0 {6,S} {8,S} {13,S} {14,S} +8 C u0 p0 c0 {3,S} {7,S} {15,S} {16,S} +9 C u0 p0 c0 {4,S} {10,S} {21,S} {22,S} +10 C u0 p0 c0 {5,S} {9,S} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {5,S} +26 H u0 p0 c0 {5,S} +27 H u0 p0 c0 {6,S} +28 H u0 p0 c0 {6,S} + +RDECALIN +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {10,S} {12,S} +3 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {6,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {7,S} {23,S} {24,S} +6 C u0 p0 c0 {4,S} {7,S} {19,S} {20,S} +7 C u0 p0 c0 {5,S} {6,S} {21,S} {22,S} +8 C u0 p0 c0 {3,S} {9,S} {13,S} {14,S} +9 C u0 p0 c0 {8,S} {10,S} {25,S} {26,S} +10 C u1 p0 c0 {2,S} {9,S} {27,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {10,S} + +P2 +1 C u0 p0 c0 {2,S} {3,B} {6,B} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 C u0 p0 c0 {1,B} {8,B} {15,S} +4 C u0 p0 c0 {2,B} {9,B} {16,S} +5 C u0 p0 c0 {2,B} {11,B} {20,S} +6 C u0 p0 c0 {1,B} {12,B} {21,S} +7 C u0 p0 c0 {8,B} {12,B} {13,S} +8 C u0 p0 c0 {3,B} {7,B} {14,S} +9 C u0 p0 c0 {4,B} {10,B} {17,S} +10 C u0 p0 c0 {9,B} {11,B} {18,S} +11 C u0 p0 c0 {5,B} {10,B} {19,S} +12 C u0 p0 c0 {6,B} {7,B} {22,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {11,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {12,S} + +P2- +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,B} {6,B} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {7,B} {14,S} +4 C u0 p0 c0 {2,B} {9,B} {18,S} +5 C u0 p0 c0 {1,B} {10,B} {13,S} +6 C u0 p0 c0 {1,B} {11,B} {19,S} +7 C u0 p0 c0 {3,B} {8,B} {15,S} +8 C u0 p0 c0 {7,B} {9,B} {16,S} +9 C u0 p0 c0 {4,B} {8,B} {17,S} +10 C u0 p0 c0 {5,B} {12,B} {20,S} +11 C u0 p0 c0 {6,B} {12,B} {21,S} +12 C u1 p0 c0 {10,B} {11,B} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {11,S} + +A2- +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {8,B} +3 C u0 p0 c0 {1,B} {6,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {1,B} {9,B} {11,S} +6 C u0 p0 c0 {3,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 C u0 p0 c0 {2,B} {10,B} {16,S} +9 C u0 p0 c0 {5,B} {10,B} {17,S} +10 C u1 p0 c0 {8,B} {9,B} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} + +A2C2H +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {1,B} {8,B} {13,S} +5 C u0 p0 c0 {2,B} {9,B} {16,S} +6 C u0 p0 c0 {2,B} {10,B} {17,S} +7 C u0 p0 c0 {3,B} {10,B} {19,S} +8 C u0 p0 c0 {4,B} {9,B} {14,S} +9 C u0 p0 c0 {5,B} {8,B} {15,S} +10 C u0 p0 c0 {6,B} {7,B} {18,S} +11 C u0 p0 c0 {3,S} {12,T} +12 C u0 p0 c0 {11,T} {20,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {12,S} + +A2C2H* +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {10,B} +3 C u0 p0 c0 {1,B} {6,B} {11,S} +4 C u0 p0 c0 {1,B} {8,B} {13,S} +5 C u0 p0 c0 {2,B} {7,B} {15,S} +6 C u0 p0 c0 {3,B} {7,B} {17,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 C u0 p0 c0 {4,B} {9,B} {14,S} +9 C u0 p0 c0 {8,B} {10,B} {18,S} +10 C u1 p0 c0 {2,B} {9,B} +11 C u0 p0 c0 {3,S} {12,T} +12 C u0 p0 c0 {11,T} {19,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {12,S} + +A2CH3 +1 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {3,B} {5,B} +3 C u0 p0 c0 {2,B} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {7,B} {8,B} +5 C u0 p0 c0 {2,B} {11,B} {21,S} +6 C u0 p0 c0 {3,B} {9,B} {15,S} +7 C u0 p0 c0 {4,B} {10,B} {18,S} +8 C u0 p0 c0 {4,B} {11,B} {19,S} +9 C u0 p0 c0 {6,B} {10,B} {16,S} +10 C u0 p0 c0 {7,B} {9,B} {17,S} +11 C u0 p0 c0 {5,B} {8,B} {20,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {11,S} +21 H u0 p0 c0 {5,S} + +A2CH2 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {1,B} {8,B} {12,S} +5 C u0 p0 c0 {2,B} {9,B} {15,S} +6 C u0 p0 c0 {2,B} {10,B} {16,S} +7 C u0 p0 c0 {3,B} {10,B} {18,S} +8 C u0 p0 c0 {4,B} {9,B} {13,S} +9 C u0 p0 c0 {5,B} {8,B} {14,S} +10 C u0 p0 c0 {6,B} {7,B} {17,S} +11 C u1 p0 c0 {3,S} {19,S} {20,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {11,S} +20 H u0 p0 c0 {11,S} + +A2CHO +1 O u0 p2 c0 {12,D} +2 C u0 p0 c0 {3,B} {4,B} {5,B} +3 C u0 p0 c0 {2,B} {6,B} {7,B} +4 C u0 p0 c0 {2,B} {8,B} {12,S} +5 C u0 p0 c0 {2,B} {9,B} {13,S} +6 C u0 p0 c0 {3,B} {10,B} {16,S} +7 C u0 p0 c0 {3,B} {11,B} {17,S} +8 C u0 p0 c0 {4,B} {11,B} {19,S} +9 C u0 p0 c0 {5,B} {10,B} {14,S} +10 C u0 p0 c0 {6,B} {9,B} {15,S} +11 C u0 p0 c0 {7,B} {8,B} {18,S} +12 C u0 p0 c0 {1,D} {4,S} {20,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {10,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {11,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {12,S} + +C11H10O +1 O u0 p2 c0 {2,S} {22,S} +2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} +3 C u0 p0 c0 {2,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {5,B} {7,B} +5 C u0 p0 c0 {4,B} {8,B} {9,B} +6 C u0 p0 c0 {3,B} {12,B} {21,S} +7 C u0 p0 c0 {4,B} {10,B} {15,S} +8 C u0 p0 c0 {5,B} {11,B} {18,S} +9 C u0 p0 c0 {5,B} {12,B} {19,S} +10 C u0 p0 c0 {7,B} {11,B} {16,S} +11 C u0 p0 c0 {8,B} {10,B} {17,S} +12 C u0 p0 c0 {6,B} {9,B} {20,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {10,S} +17 H u0 p0 c0 {11,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {12,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {1,S} + +A2CO +multiplicity 2 +1 O u0 p2 c0 {12,D} +2 C u0 p0 c0 {3,B} {4,B} {5,B} +3 C u0 p0 c0 {2,B} {6,B} {7,B} +4 C u0 p0 c0 {2,B} {8,B} {12,S} +5 C u0 p0 c0 {2,B} {9,B} {13,S} +6 C u0 p0 c0 {3,B} {10,B} {16,S} +7 C u0 p0 c0 {3,B} {11,B} {17,S} +8 C u0 p0 c0 {4,B} {11,B} {19,S} +9 C u0 p0 c0 {5,B} {10,B} {14,S} +10 C u0 p0 c0 {6,B} {9,B} {15,S} +11 C u0 p0 c0 {7,B} {8,B} {18,S} +12 C u1 p0 c0 {1,D} {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {10,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {11,S} +19 H u0 p0 c0 {8,S} + +A2O +multiplicity 2 +1 O u1 p2 c0 {4,S} +2 C u0 p0 c0 {3,B} {4,B} {5,B} +3 C u0 p0 c0 {2,B} {6,B} {7,B} +4 C u0 p0 c0 {1,S} {2,B} {11,B} +5 C u0 p0 c0 {2,B} {8,B} {12,S} +6 C u0 p0 c0 {3,B} {9,B} {15,S} +7 C u0 p0 c0 {3,B} {10,B} {16,S} +8 C u0 p0 c0 {5,B} {9,B} {13,S} +9 C u0 p0 c0 {6,B} {8,B} {14,S} +10 C u0 p0 c0 {7,B} {11,B} {17,S} +11 C u0 p0 c0 {4,B} {10,B} {18,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {11,S} + +A2OH +1 O u0 p2 c0 {4,S} {19,S} +2 C u0 p0 c0 {3,B} {4,B} {5,B} +3 C u0 p0 c0 {2,B} {6,B} {7,B} +4 C u0 p0 c0 {1,S} {2,B} {8,B} +5 C u0 p0 c0 {2,B} {9,B} {12,S} +6 C u0 p0 c0 {3,B} {10,B} {15,S} +7 C u0 p0 c0 {3,B} {11,B} {16,S} +8 C u0 p0 c0 {4,B} {11,B} {18,S} +9 C u0 p0 c0 {5,B} {10,B} {13,S} +10 C u0 p0 c0 {6,B} {9,B} {14,S} +11 C u0 p0 c0 {7,B} {8,B} {17,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {11,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {1,S} + +A3 +1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {10,B} +3 C u0 p0 c0 {1,B} {6,B} {7,B} +4 C u0 p0 c0 {2,B} {8,B} {9,B} +5 C u0 p0 c0 {1,B} {12,B} {17,S} +6 C u0 p0 c0 {3,B} {11,B} {18,S} +7 C u0 p0 c0 {3,B} {8,B} {19,S} +8 C u0 p0 c0 {4,B} {7,B} {20,S} +9 C u0 p0 c0 {4,B} {13,B} {21,S} +10 C u0 p0 c0 {2,B} {14,B} {24,S} +11 C u0 p0 c0 {6,B} {12,B} {15,S} +12 C u0 p0 c0 {5,B} {11,B} {16,S} +13 C u0 p0 c0 {9,B} {14,B} {22,S} +14 C u0 p0 c0 {10,B} {13,B} {23,S} +15 H u0 p0 c0 {11,S} +16 H u0 p0 c0 {12,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {13,S} +23 H u0 p0 c0 {14,S} +24 H u0 p0 c0 {10,S} + +A2R5 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {10,S} +4 C u0 p0 c0 {1,B} {8,B} {9,S} +5 C u0 p0 c0 {2,B} {11,B} {14,S} +6 C u0 p0 c0 {2,B} {12,B} {15,S} +7 C u0 p0 c0 {3,B} {12,B} {17,S} +8 C u0 p0 c0 {4,B} {11,B} {18,S} +9 C u0 p0 c0 {4,S} {10,D} {19,S} +10 C u0 p0 c0 {3,S} {9,D} {20,S} +11 C u0 p0 c0 {5,B} {8,B} {13,S} +12 C u0 p0 c0 {6,B} {7,B} {16,S} +13 H u0 p0 c0 {11,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {12,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} + +A2R5- +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,S} +3 C u0 p0 c0 {1,B} {7,S} {9,B} +4 C u0 p0 c0 {1,B} {8,B} {12,B} +5 C u0 p0 c0 {2,B} {10,B} {15,S} +6 C u0 p0 c0 {2,S} {7,D} {16,S} +7 C u0 p0 c0 {3,S} {6,D} {17,S} +8 C u0 p0 c0 {4,B} {10,B} {13,S} +9 C u0 p0 c0 {3,B} {11,B} {18,S} +10 C u0 p0 c0 {5,B} {8,B} {14,S} +11 C u0 p0 c0 {9,B} {12,B} {19,S} +12 C u1 p0 c0 {4,B} {11,B} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {11,S} + +A3- +multiplicity 2 +1 C u0 p0 c0 {2,B} {4,B} {9,B} +2 C u0 p0 c0 {1,B} {7,B} {8,B} +3 C u0 p0 c0 {4,B} {5,B} {6,B} +4 C u0 p0 c0 {1,B} {3,B} {14,B} +5 C u0 p0 c0 {3,B} {12,B} {15,S} +6 C u0 p0 c0 {3,B} {7,B} {17,S} +7 C u0 p0 c0 {2,B} {6,B} {18,S} +8 C u0 p0 c0 {2,B} {10,B} {19,S} +9 C u0 p0 c0 {1,B} {11,B} {22,S} +10 C u0 p0 c0 {8,B} {11,B} {20,S} +11 C u0 p0 c0 {9,B} {10,B} {21,S} +12 C u0 p0 c0 {5,B} {13,B} {16,S} +13 C u0 p0 c0 {12,B} {14,B} {23,S} +14 C u1 p0 c0 {4,B} {13,B} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {12,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {11,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {13,S} + +A3CH3 +1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +2 C u0 p0 c0 {1,S} {3,B} {7,B} +3 C u0 p0 c0 {2,B} {5,B} {8,B} +4 C u0 p0 c0 {5,B} {6,B} {10,B} +5 C u0 p0 c0 {3,B} {4,B} {12,B} +6 C u0 p0 c0 {4,B} {9,B} {11,B} +7 C u0 p0 c0 {2,B} {15,B} {27,S} +8 C u0 p0 c0 {3,B} {9,B} {19,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} +10 C u0 p0 c0 {4,B} {13,B} {21,S} +11 C u0 p0 c0 {6,B} {14,B} {24,S} +12 C u0 p0 c0 {5,B} {15,B} {25,S} +13 C u0 p0 c0 {10,B} {14,B} {22,S} +14 C u0 p0 c0 {11,B} {13,B} {23,S} +15 C u0 p0 c0 {7,B} {12,B} {26,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {13,S} +23 H u0 p0 c0 {14,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {15,S} +27 H u0 p0 c0 {7,S} + +A3CH2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +2 C u0 p0 c0 {1,S} {3,B} {7,B} +3 C u0 p0 c0 {2,B} {4,B} {8,B} +4 C u0 p0 c0 {3,B} {6,B} {11,B} +5 C u0 p0 c0 {6,B} {9,B} {10,B} +6 C u0 p0 c0 {4,B} {5,B} {15,B} +7 C u0 p0 c0 {2,B} {12,B} {25,S} +8 C u0 p0 c0 {3,B} {9,B} {19,S} +9 C u0 p0 c0 {5,B} {8,B} {20,S} +10 C u0 p0 c0 {5,B} {13,B} {22,S} +11 C u0 p0 c0 {4,B} {12,B} {23,S} +12 C u0 p0 c0 {7,B} {11,B} {24,S} +13 C u0 p0 c0 {10,B} {14,B} {21,S} +14 C u0 p0 c0 {13,B} {15,B} {26,S} +15 C u1 p0 c0 {6,B} {14,B} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {13,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {14,S} + +A3C2H +1 C u0 p0 c0 {2,B} {4,B} {8,B} +2 C u0 p0 c0 {1,B} {3,B} {10,B} +3 C u0 p0 c0 {2,B} {5,B} {6,B} +4 C u0 p0 c0 {1,B} {7,B} {9,B} +5 C u0 p0 c0 {3,B} {11,B} {15,S} +6 C u0 p0 c0 {3,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {18,S} +8 C u0 p0 c0 {1,B} {12,B} {19,S} +9 C u0 p0 c0 {4,B} {13,B} {22,S} +10 C u0 p0 c0 {2,B} {14,B} {23,S} +11 C u0 p0 c0 {5,B} {14,B} {25,S} +12 C u0 p0 c0 {8,B} {13,B} {20,S} +13 C u0 p0 c0 {9,B} {12,B} {21,S} +14 C u0 p0 c0 {10,B} {11,B} {24,S} +15 C u0 p0 c0 {5,S} {16,T} +16 C u0 p0 c0 {15,T} {26,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {12,S} +21 H u0 p0 c0 {13,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {14,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {16,S} + +A3C2H* +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {8,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 C u0 p0 c0 {1,B} {4,B} {12,B} +4 C u0 p0 c0 {3,B} {7,B} {9,B} +5 C u0 p0 c0 {2,B} {10,B} {15,S} +6 C u0 p0 c0 {2,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {18,S} +8 C u0 p0 c0 {1,B} {11,B} {20,S} +9 C u0 p0 c0 {4,B} {13,B} {19,S} +10 C u0 p0 c0 {5,B} {11,B} {22,S} +11 C u0 p0 c0 {8,B} {10,B} {21,S} +12 C u0 p0 c0 {3,B} {14,B} {23,S} +13 C u0 p0 c0 {9,B} {14,B} {24,S} +14 C u1 p0 c0 {12,B} {13,B} +15 C u0 p0 c0 {5,S} {16,T} +16 C u0 p0 c0 {15,T} {25,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {11,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {13,S} +25 H u0 p0 c0 {16,S} + +A4 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {14,B} +4 C u0 p0 c0 {1,B} {8,B} {9,B} +5 C u0 p0 c0 {2,B} {10,B} {12,B} +6 C u0 p0 c0 {2,B} {11,B} {13,B} +7 C u0 p0 c0 {3,B} {15,B} {18,S} +8 C u0 p0 c0 {4,B} {15,B} {19,S} +9 C u0 p0 c0 {4,B} {10,B} {20,S} +10 C u0 p0 c0 {5,B} {9,B} {21,S} +11 C u0 p0 c0 {6,B} {16,B} {22,S} +12 C u0 p0 c0 {5,B} {16,B} {24,S} +13 C u0 p0 c0 {6,B} {14,B} {25,S} +14 C u0 p0 c0 {3,B} {13,B} {26,S} +15 C u0 p0 c0 {7,B} {8,B} {17,S} +16 C u0 p0 c0 {11,B} {12,B} {23,S} +17 H u0 p0 c0 {15,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {16,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {13,S} +26 H u0 p0 c0 {14,S} + +A4- +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {9,B} +4 C u0 p0 c0 {1,B} {8,B} {10,B} +5 C u0 p0 c0 {2,B} {11,B} {13,B} +6 C u0 p0 c0 {2,B} {12,B} {16,B} +7 C u0 p0 c0 {3,B} {12,B} {18,S} +8 C u0 p0 c0 {4,B} {14,B} {19,S} +9 C u0 p0 c0 {3,B} {14,B} {21,S} +10 C u0 p0 c0 {4,B} {11,B} {22,S} +11 C u0 p0 c0 {5,B} {10,B} {23,S} +12 C u0 p0 c0 {6,B} {7,B} {17,S} +13 C u0 p0 c0 {5,B} {15,B} {24,S} +14 C u0 p0 c0 {8,B} {9,B} {20,S} +15 C u0 p0 c0 {13,B} {16,B} {25,S} +16 C u1 p0 c0 {6,B} {15,B} +17 H u0 p0 c0 {12,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {14,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {13,S} +25 H u0 p0 c0 {15,S} + +C6H +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,T} +2 C u0 p0 c0 {1,S} {4,T} +3 C u0 p0 c0 {1,T} {5,S} +4 C u0 p0 c0 {2,T} {7,S} +5 C u0 p0 c0 {3,S} {6,T} +6 C u1 p0 c0 {5,T} +7 H u0 p0 c0 {4,S} + +C6H2 +1 C u0 p0 c0 {2,T} {3,S} +2 C u0 p0 c0 {1,T} {4,S} +3 C u0 p0 c0 {1,S} {5,T} +4 C u0 p0 c0 {2,S} {6,T} +5 C u0 p0 c0 {3,T} {7,S} +6 C u0 p0 c0 {4,T} {8,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {6,S} + +A4C2H +1 C u0 p0 c0 {2,B} {4,B} {5,B} +2 C u0 p0 c0 {1,B} {3,B} {6,B} +3 C u0 p0 c0 {2,B} {7,B} {8,B} +4 C u0 p0 c0 {1,B} {9,B} {10,B} +5 C u0 p0 c0 {1,B} {11,B} {14,B} +6 C u0 p0 c0 {2,B} {12,B} {13,B} +7 C u0 p0 c0 {3,B} {15,B} {17,S} +8 C u0 p0 c0 {3,B} {9,B} {19,S} +9 C u0 p0 c0 {4,B} {8,B} {20,S} +10 C u0 p0 c0 {4,B} {16,B} {21,S} +11 C u0 p0 c0 {5,B} {16,B} {23,S} +12 C u0 p0 c0 {6,B} {15,B} {24,S} +13 C u0 p0 c0 {6,B} {14,B} {26,S} +14 C u0 p0 c0 {5,B} {13,B} {27,S} +15 C u0 p0 c0 {7,B} {12,B} {25,S} +16 C u0 p0 c0 {10,B} {11,B} {22,S} +17 C u0 p0 c0 {7,S} {18,T} +18 C u0 p0 c0 {17,T} {28,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {16,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {15,S} +26 H u0 p0 c0 {13,S} +27 H u0 p0 c0 {14,S} +28 H u0 p0 c0 {18,S} + +A4C2H* +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {8,B} +4 C u0 p0 c0 {2,B} {9,B} {12,B} +5 C u0 p0 c0 {1,B} {10,B} {11,B} +6 C u0 p0 c0 {2,B} {13,B} {16,B} +7 C u0 p0 c0 {3,B} {14,B} {17,S} +8 C u0 p0 c0 {3,B} {9,B} {19,S} +9 C u0 p0 c0 {4,B} {8,B} {20,S} +10 C u0 p0 c0 {5,B} {13,B} {22,S} +11 C u0 p0 c0 {5,B} {14,B} {24,S} +12 C u0 p0 c0 {4,B} {15,B} {21,S} +13 C u0 p0 c0 {6,B} {10,B} {23,S} +14 C u0 p0 c0 {7,B} {11,B} {25,S} +15 C u0 p0 c0 {12,B} {16,B} {26,S} +16 C u1 p0 c0 {6,B} {15,B} +17 C u0 p0 c0 {7,S} {18,T} +18 C u0 p0 c0 {17,T} {27,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {12,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {13,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {14,S} +26 H u0 p0 c0 {15,S} +27 H u0 p0 c0 {18,S} + +BAPYR*S +multiplicity 2 +1 C u0 p0 c0 {2,B} {5,B} {6,B} +2 C u0 p0 c0 {1,B} {3,B} {7,B} +3 C u0 p0 c0 {2,B} {4,B} {10,B} +4 C u0 p0 c0 {3,B} {8,B} {18,B} +5 C u0 p0 c0 {1,B} {11,B} {12,B} +6 C u0 p0 c0 {1,B} {13,B} {15,B} +7 C u0 p0 c0 {2,B} {9,B} {14,B} +8 C u0 p0 c0 {4,B} {9,B} {16,B} +9 C u0 p0 c0 {7,B} {8,B} {28,S} +10 C u0 p0 c0 {3,B} {11,B} {21,S} +11 C u0 p0 c0 {5,B} {10,B} {22,S} +12 C u0 p0 c0 {5,B} {17,B} {23,S} +13 C u0 p0 c0 {6,B} {17,B} {25,S} +14 C u0 p0 c0 {7,B} {15,B} {26,S} +15 C u0 p0 c0 {6,B} {14,B} {27,S} +16 C u0 p0 c0 {8,B} {19,B} {29,S} +17 C u0 p0 c0 {12,B} {13,B} {24,S} +18 C u0 p0 c0 {4,B} {20,B} {30,S} +19 C u0 p0 c0 {16,B} {20,B} {31,S} +20 C u1 p0 c0 {18,B} {19,B} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {17,S} +25 H u0 p0 c0 {13,S} +26 H u0 p0 c0 {14,S} +27 H u0 p0 c0 {15,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {16,S} +30 H u0 p0 c0 {18,S} +31 H u0 p0 c0 {19,S} + +BGHIF +1 C u0 p0 c0 {3,B} {4,B} {6,B} +2 C u0 p0 c0 {3,B} {5,B} {7,B} +3 C u0 p0 c0 {1,B} {2,B} {8,B} +4 C u0 p0 c0 {1,B} {5,S} {10,B} +5 C u0 p0 c0 {2,B} {4,S} {12,B} +6 C u0 p0 c0 {1,B} {9,B} {16,B} +7 C u0 p0 c0 {2,B} {11,B} {13,B} +8 C u0 p0 c0 {3,B} {14,B} {15,B} +9 C u0 p0 c0 {6,B} {17,B} {20,S} +10 C u0 p0 c0 {4,B} {17,B} {21,S} +11 C u0 p0 c0 {7,B} {18,B} {22,S} +12 C u0 p0 c0 {5,B} {18,B} {24,S} +13 C u0 p0 c0 {7,B} {14,B} {25,S} +14 C u0 p0 c0 {8,B} {13,B} {26,S} +15 C u0 p0 c0 {8,B} {16,B} {27,S} +16 C u0 p0 c0 {6,B} {15,B} {28,S} +17 C u0 p0 c0 {9,B} {10,B} {19,S} +18 C u0 p0 c0 {11,B} {12,B} {23,S} +19 H u0 p0 c0 {17,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {18,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {13,S} +26 H u0 p0 c0 {14,S} +27 H u0 p0 c0 {15,S} +28 H u0 p0 c0 {16,S} + +Octatetrayne +1 C u0 p0 c0 {2,T} {5,S} +2 C u0 p0 c0 {1,T} {3,S} +3 C u0 p0 c0 {2,S} {4,T} +4 C u0 p0 c0 {3,T} {6,S} +5 C u0 p0 c0 {1,S} {7,T} +6 C u0 p0 c0 {4,S} {8,T} +7 C u0 p0 c0 {5,T} {9,S} +8 C u0 p0 c0 {6,T} {10,S} +9 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {8,S} + +C18H12 +1 C u0 p0 c0 {2,B} {3,B} {9,B} +2 C u0 p0 c0 {1,B} {6,B} {11,B} +3 C u0 p0 c0 {1,B} {4,B} {13,B} +4 C u0 p0 c0 {3,B} {5,B} {14,B} +5 C u0 p0 c0 {4,B} {7,B} {8,B} +6 C u0 p0 c0 {2,B} {10,B} {12,B} +7 C u0 p0 c0 {5,B} {15,B} {20,S} +8 C u0 p0 c0 {5,B} {9,B} {21,S} +9 C u0 p0 c0 {1,B} {8,B} {22,S} +10 C u0 p0 c0 {6,B} {16,B} {23,S} +11 C u0 p0 c0 {2,B} {17,B} {26,S} +12 C u0 p0 c0 {6,B} {13,B} {27,S} +13 C u0 p0 c0 {3,B} {12,B} {28,S} +14 C u0 p0 c0 {4,B} {18,B} {29,S} +15 C u0 p0 c0 {7,B} {18,B} {19,S} +16 C u0 p0 c0 {10,B} {17,B} {24,S} +17 C u0 p0 c0 {11,B} {16,B} {25,S} +18 C u0 p0 c0 {14,B} {15,B} {30,S} +19 H u0 p0 c0 {15,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {16,S} +25 H u0 p0 c0 {17,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {13,S} +29 H u0 p0 c0 {14,S} +30 H u0 p0 c0 {18,S} + +C18H11 +multiplicity 2 +1 C u0 p0 c0 {3,B} {5,B} {11,B} +2 C u0 p0 c0 {4,B} {6,B} {8,B} +3 C u0 p0 c0 {1,B} {6,B} {10,B} +4 C u0 p0 c0 {2,B} {7,B} {9,B} +5 C u0 p0 c0 {1,B} {12,B} {17,B} +6 C u0 p0 c0 {2,B} {3,B} {18,B} +7 C u0 p0 c0 {4,B} {13,B} {19,S} +8 C u0 p0 c0 {2,B} {14,B} {22,S} +9 C u0 p0 c0 {4,B} {10,B} {23,S} +10 C u0 p0 c0 {3,B} {9,B} {24,S} +11 C u0 p0 c0 {1,B} {15,B} {25,S} +12 C u0 p0 c0 {5,B} {16,B} {28,S} +13 C u0 p0 c0 {7,B} {14,B} {20,S} +14 C u0 p0 c0 {8,B} {13,B} {21,S} +15 C u0 p0 c0 {11,B} {16,B} {26,S} +16 C u0 p0 c0 {12,B} {15,B} {27,S} +17 C u0 p0 c0 {5,B} {18,B} {29,S} +18 C u1 p0 c0 {6,B} {17,B} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {13,S} +21 H u0 p0 c0 {14,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {15,S} +27 H u0 p0 c0 {16,S} +28 H u0 p0 c0 {12,S} +29 H u0 p0 c0 {17,S} + +BAPYR +1 C u0 p0 c0 {2,B} {3,B} {6,B} +2 C u0 p0 c0 {1,B} {7,B} {8,B} +3 C u0 p0 c0 {1,B} {4,B} {12,B} +4 C u0 p0 c0 {3,B} {5,B} {11,B} +5 C u0 p0 c0 {4,B} {9,B} {10,B} +6 C u0 p0 c0 {1,B} {9,B} {17,B} +7 C u0 p0 c0 {2,B} {13,B} {14,B} +8 C u0 p0 c0 {2,B} {15,B} {16,B} +9 C u0 p0 c0 {5,B} {6,B} {23,S} +10 C u0 p0 c0 {5,B} {18,B} {22,S} +11 C u0 p0 c0 {4,B} {19,B} {24,S} +12 C u0 p0 c0 {3,B} {13,B} {26,S} +13 C u0 p0 c0 {7,B} {12,B} {27,S} +14 C u0 p0 c0 {7,B} {20,B} {28,S} +15 C u0 p0 c0 {8,B} {20,B} {30,S} +16 C u0 p0 c0 {8,B} {17,B} {31,S} +17 C u0 p0 c0 {6,B} {16,B} {32,S} +18 C u0 p0 c0 {10,B} {19,B} {21,S} +19 C u0 p0 c0 {11,B} {18,B} {25,S} +20 C u0 p0 c0 {14,B} {15,B} {29,S} +21 H u0 p0 c0 {18,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {19,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {20,S} +30 H u0 p0 c0 {15,S} +31 H u0 p0 c0 {16,S} +32 H u0 p0 c0 {17,S} + +C4H +multiplicity 2 +1 C u0 p0 c0 {2,T} {3,S} +2 C u0 p0 c0 {1,T} {5,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u1 p0 c0 {3,T} +5 H u0 p0 c0 {2,S} + +C8H +multiplicity 2 +1 C u0 p0 c0 {2,T} {4,S} +2 C u0 p0 c0 {1,T} {3,S} +3 C u0 p0 c0 {2,S} {5,T} +4 C u0 p0 c0 {1,S} {6,T} +5 C u0 p0 c0 {3,T} {7,S} +6 C u0 p0 c0 {4,T} {9,S} +7 C u0 p0 c0 {5,S} {8,T} +8 C u1 p0 c0 {7,T} +9 H u0 p0 c0 {6,S} + +Decapentayne +1 C u0 p0 c0 {2,T} {7,S} +2 C u0 p0 c0 {1,T} {3,S} +3 C u0 p0 c0 {2,S} {4,T} +4 C u0 p0 c0 {3,T} {5,S} +5 C u0 p0 c0 {4,S} {6,T} +6 C u0 p0 c0 {5,T} {8,S} +7 C u0 p0 c0 {1,S} {9,T} +8 C u0 p0 c0 {6,S} {10,T} +9 C u0 p0 c0 {7,T} {11,S} +10 C u0 p0 c0 {8,T} {12,S} +11 H u0 p0 c0 {9,S} +12 H u0 p0 c0 {10,S} + +iC10H22 +1 C u0 p0 c0 {3,S} {7,S} {8,S} {11,S} +2 C u0 p0 c0 {4,S} {9,S} {10,S} {12,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {6,S} {19,S} {20,S} +5 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} +6 C u0 p0 c0 {4,S} {5,S} {17,S} {18,S} +7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +8 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} +9 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} +10 C u0 p0 c0 {2,S} {30,S} {31,S} {32,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} + +p-iC10H21 +multiplicity 2 +1 C u0 p0 c0 {3,S} {7,S} {8,S} {11,S} +2 C u0 p0 c0 {4,S} {9,S} {10,S} {12,S} +3 C u0 p0 c0 {1,S} {6,S} {19,S} {20,S} +4 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +5 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} +6 C u0 p0 c0 {3,S} {5,S} {17,S} {18,S} +7 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} +8 C u0 p0 c0 {1,S} {27,S} {28,S} {29,S} +9 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} +10 C u1 p0 c0 {2,S} {30,S} {31,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {10,S} + +s-iC10H21 +multiplicity 2 +1 C u0 p0 c0 {3,S} {6,S} {7,S} {11,S} +2 C u0 p0 c0 {8,S} {9,S} {10,S} {12,S} +3 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} +4 C u0 p0 c0 {3,S} {5,S} {13,S} {14,S} +5 C u0 p0 c0 {4,S} {10,S} {17,S} {18,S} +6 C u0 p0 c0 {1,S} {25,S} {26,S} {27,S} +7 C u0 p0 c0 {1,S} {28,S} {29,S} {30,S} +8 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} +9 C u0 p0 c0 {2,S} {22,S} {23,S} {24,S} +10 C u1 p0 c0 {2,S} {5,S} {31,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {6,S} +28 H u0 p0 c0 {7,S} +29 H u0 p0 c0 {7,S} +30 H u0 p0 c0 {7,S} +31 H u0 p0 c0 {10,S} + +t-iC10H21 +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 C u0 p0 c0 {2,S} {4,S} {14,S} {15,S} +4 C u0 p0 c0 {3,S} {5,S} {12,S} {13,S} +5 C u0 p0 c0 {4,S} {10,S} {18,S} {19,S} +6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} +8 C u0 p0 c0 {10,S} {26,S} {27,S} {28,S} +9 C u0 p0 c0 {10,S} {29,S} {30,S} {31,S} +10 C u1 p0 c0 {5,S} {8,S} {9,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {9,S} + +iC9H19 +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {4,S} {13,S} {14,S} +4 C u0 p0 c0 {3,S} {5,S} {15,S} {16,S} +5 C u0 p0 c0 {4,S} {6,S} {17,S} {18,S} +6 C u0 p0 c0 {5,S} {8,S} {19,S} {20,S} +7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +8 C u0 p0 c0 {6,S} {24,S} {25,S} {26,S} +9 C u1 p0 c0 {1,S} {27,S} {28,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} + +iC9H18 +1 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {6,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {8,S} {18,S} {19,S} +6 C u0 p0 c0 {4,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {8,S} {23,S} {24,S} {25,S} +8 C u0 p0 c0 {5,S} {7,S} {9,D} +9 C u0 p0 c0 {8,D} {26,S} {27,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {9,S} + +s-iC10H20 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {11,S} +2 C u0 p0 c0 {7,S} {8,S} {9,S} {12,S} +3 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +4 C u0 p0 c0 {3,S} {10,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} +6 C u0 p0 c0 {1,S} {26,S} {27,S} {28,S} +7 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +8 C u0 p0 c0 {2,S} {20,S} {21,S} {22,S} +9 C u0 p0 c0 {2,S} {10,D} {29,S} +10 C u0 p0 c0 {4,S} {9,D} {30,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {5,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {6,S} +28 H u0 p0 c0 {6,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {10,S} + +t-iC10H20 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 C u0 p0 c0 {2,S} {4,S} {14,S} {15,S} +4 C u0 p0 c0 {3,S} {5,S} {12,S} {13,S} +5 C u0 p0 c0 {4,S} {9,S} {18,S} {19,S} +6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} +8 C u0 p0 c0 {9,S} {26,S} {27,S} {28,S} +9 C u0 p0 c0 {5,S} {8,S} {10,D} +10 C u0 p0 c0 {9,D} {29,S} {30,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {10,S} +30 H u0 p0 c0 {10,S} + +s-iC10H19 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {11,S} +2 C u0 p0 c0 {6,S} {7,S} {8,S} {12,S} +3 C u0 p0 c0 {1,S} {9,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +5 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} +6 C u0 p0 c0 {2,S} {15,S} {16,S} {17,S} +7 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +8 C u0 p0 c0 {2,S} {10,D} {27,S} +9 C u1 p0 c0 {3,S} {10,S} {28,S} +10 C u0 p0 c0 {8,D} {9,S} {29,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {5,S} +26 H u0 p0 c0 {5,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {10,S} + +iC9H17 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {8,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {18,S} {19,S} {20,S} +6 C u0 p0 c0 {7,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {6,S} {8,S} {9,D} +8 C u1 p0 c0 {4,S} {7,S} {24,S} +9 C u0 p0 c0 {7,D} {25,S} {26,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {9,S} + +t-iC10H19 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {11,S} +2 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} +3 C u0 p0 c0 {2,S} {4,S} {12,S} {13,S} +4 C u0 p0 c0 {3,S} {9,S} {16,S} {17,S} +5 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {8,S} {24,S} {25,S} {26,S} +8 C u0 p0 c0 {7,S} {9,S} {10,D} +9 C u1 p0 c0 {4,S} {8,S} {27,S} +10 C u0 p0 c0 {8,D} {28,S} {29,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {10,S} +29 H u0 p0 c0 {10,S} + +2-methyldecane +1 C u0 p0 c0 {2,S} {9,S} {10,S} {12,S} +2 C u0 p0 c0 {1,S} {7,S} {25,S} {26,S} +3 C u0 p0 c0 {4,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {3,S} {5,S} {17,S} {18,S} +5 C u0 p0 c0 {4,S} {6,S} {19,S} {20,S} +6 C u0 p0 c0 {5,S} {7,S} {21,S} {22,S} +7 C u0 p0 c0 {2,S} {6,S} {23,S} {24,S} +8 C u0 p0 c0 {3,S} {11,S} {13,S} {14,S} +9 C u0 p0 c0 {1,S} {30,S} {31,S} {32,S} +10 C u0 p0 c0 {1,S} {33,S} {34,S} {35,S} +11 C u0 p0 c0 {8,S} {27,S} {28,S} {29,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {2,S} +26 H u0 p0 c0 {2,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} +29 H u0 p0 c0 {11,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {9,S} +32 H u0 p0 c0 {9,S} +33 H u0 p0 c0 {10,S} +34 H u0 p0 c0 {10,S} +35 H u0 p0 c0 {10,S} + +p-iC11H23 +multiplicity 2 +1 C u0 p0 c0 {2,S} {9,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} +3 C u0 p0 c0 {2,S} {4,S} {15,S} {16,S} +4 C u0 p0 c0 {3,S} {5,S} {17,S} {18,S} +5 C u0 p0 c0 {4,S} {6,S} {19,S} {20,S} +6 C u0 p0 c0 {5,S} {7,S} {21,S} {22,S} +7 C u0 p0 c0 {6,S} {8,S} {23,S} {24,S} +8 C u0 p0 c0 {7,S} {10,S} {25,S} {26,S} +9 C u0 p0 c0 {1,S} {27,S} {28,S} {29,S} +10 C u0 p0 c0 {8,S} {30,S} {31,S} {32,S} +11 C u1 p0 c0 {1,S} {33,S} {34,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} +33 H u0 p0 c0 {11,S} +34 H u0 p0 c0 {11,S} + +s-iC11H23 +multiplicity 2 +1 C u0 p0 c0 {8,S} {9,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {4,S} {17,S} {18,S} +4 C u0 p0 c0 {3,S} {5,S} {19,S} {20,S} +5 C u0 p0 c0 {4,S} {7,S} {21,S} {22,S} +6 C u0 p0 c0 {2,S} {10,S} {13,S} {14,S} +7 C u0 p0 c0 {5,S} {11,S} {23,S} {24,S} +8 C u0 p0 c0 {1,S} {28,S} {29,S} {30,S} +9 C u0 p0 c0 {1,S} {31,S} {32,S} {33,S} +10 C u0 p0 c0 {6,S} {25,S} {26,S} {27,S} +11 C u1 p0 c0 {1,S} {7,S} {34,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {10,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {8,S} +31 H u0 p0 c0 {9,S} +32 H u0 p0 c0 {9,S} +33 H u0 p0 c0 {9,S} +34 H u0 p0 c0 {11,S} + +t-iC11H23 +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 C u0 p0 c0 {2,S} {4,S} {18,S} {19,S} +4 C u0 p0 c0 {3,S} {5,S} {20,S} {21,S} +5 C u0 p0 c0 {4,S} {7,S} {22,S} {23,S} +6 C u0 p0 c0 {1,S} {8,S} {12,S} {13,S} +7 C u0 p0 c0 {5,S} {11,S} {24,S} {25,S} +8 C u0 p0 c0 {6,S} {26,S} {27,S} {28,S} +9 C u0 p0 c0 {11,S} {29,S} {30,S} {31,S} +10 C u0 p0 c0 {11,S} {32,S} {33,S} {34,S} +11 C u1 p0 c0 {7,S} {9,S} {10,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {9,S} +32 H u0 p0 c0 {10,S} +33 H u0 p0 c0 {10,S} +34 H u0 p0 c0 {10,S} + +s-iC11H22 +1 C u0 p0 c0 {2,S} {7,S} {8,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {19,S} {20,S} +3 C u0 p0 c0 {4,S} {5,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {3,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {6,S} {13,S} {14,S} +6 C u0 p0 c0 {5,S} {10,S} {21,S} {22,S} +7 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} +8 C u0 p0 c0 {1,S} {26,S} {27,S} {28,S} +9 C u0 p0 c0 {11,S} {29,S} {30,S} {31,S} +10 C u0 p0 c0 {6,S} {11,D} {33,S} +11 C u0 p0 c0 {9,S} {10,D} {32,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {2,S} +20 H u0 p0 c0 {2,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {9,S} +32 H u0 p0 c0 {11,S} +33 H u0 p0 c0 {10,S} + +t-iC11H22 +1 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 C u0 p0 c0 {2,S} {4,S} {18,S} {19,S} +4 C u0 p0 c0 {3,S} {6,S} {20,S} {21,S} +5 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +6 C u0 p0 c0 {4,S} {8,S} {22,S} {23,S} +7 C u0 p0 c0 {5,S} {10,S} {24,S} {25,S} +8 C u0 p0 c0 {6,S} {26,S} {27,S} {28,S} +9 C u0 p0 c0 {10,S} {29,S} {30,S} {31,S} +10 C u0 p0 c0 {7,S} {9,S} {11,D} +11 C u0 p0 c0 {10,D} {32,S} {33,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {9,S} +32 H u0 p0 c0 {11,S} +33 H u0 p0 c0 {11,S} + +p-iC11H22 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {21,S} {22,S} +3 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {3,S} {5,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} +6 C u0 p0 c0 {3,S} {7,S} {13,S} {14,S} +7 C u0 p0 c0 {6,S} {10,S} {23,S} {24,S} +8 C u0 p0 c0 {1,S} {25,S} {26,S} {27,S} +9 C u0 p0 c0 {1,S} {28,S} {29,S} {30,S} +10 C u0 p0 c0 {7,S} {11,D} {31,S} +11 C u0 p0 c0 {10,D} {32,S} {33,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {2,S} +22 H u0 p0 c0 {2,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {11,S} +33 H u0 p0 c0 {11,S} + +s-iC11H21 +multiplicity 2 +1 C u0 p0 c0 {7,S} {8,S} {9,S} {12,S} +2 C u0 p0 c0 {3,S} {4,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {5,S} {17,S} {18,S} +5 C u0 p0 c0 {4,S} {9,S} {21,S} {22,S} +6 C u0 p0 c0 {3,S} {10,S} {19,S} {20,S} +7 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} +8 C u0 p0 c0 {1,S} {26,S} {27,S} {28,S} +9 C u1 p0 c0 {1,S} {5,S} {29,S} +10 C u0 p0 c0 {6,S} {11,D} {30,S} +11 C u0 p0 c0 {10,D} {31,S} {32,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {11,S} +32 H u0 p0 c0 {11,S} + +t-iC11H21 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} +3 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {5,S} {18,S} {19,S} +5 C u0 p0 c0 {4,S} {9,S} {22,S} {23,S} +6 C u0 p0 c0 {3,S} {10,S} {20,S} {21,S} +7 C u0 p0 c0 {9,S} {24,S} {25,S} {26,S} +8 C u0 p0 c0 {9,S} {27,S} {28,S} {29,S} +9 C u1 p0 c0 {5,S} {7,S} {8,S} +10 C u0 p0 c0 {6,S} {11,D} {30,S} +11 C u0 p0 c0 {10,D} {31,S} {32,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {11,S} +32 H u0 p0 c0 {11,S} + +a-iC15H31 +multiplicity 2 +1 C u0 p0 c0 {5,S} {6,S} {12,S} {17,S} +2 C u0 p0 c0 {4,S} {10,S} {11,S} {16,S} +3 C u0 p0 c0 {7,S} {13,S} {14,S} {18,S} +4 C u0 p0 c0 {2,S} {8,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {8,S} {23,S} {24,S} +6 C u0 p0 c0 {1,S} {9,S} {25,S} {26,S} +7 C u0 p0 c0 {3,S} {9,S} {29,S} {30,S} +8 C u0 p0 c0 {4,S} {5,S} {21,S} {22,S} +9 C u0 p0 c0 {6,S} {7,S} {27,S} {28,S} +10 C u0 p0 c0 {2,S} {15,S} {31,S} {32,S} +11 C u0 p0 c0 {2,S} {33,S} {34,S} {35,S} +12 C u0 p0 c0 {1,S} {36,S} {37,S} {38,S} +13 C u0 p0 c0 {3,S} {39,S} {40,S} {41,S} +14 C u0 p0 c0 {3,S} {42,S} {43,S} {44,S} +15 C u1 p0 c0 {10,S} {45,S} {46,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {7,S} +30 H u0 p0 c0 {7,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} +33 H u0 p0 c0 {11,S} +34 H u0 p0 c0 {11,S} +35 H u0 p0 c0 {11,S} +36 H u0 p0 c0 {12,S} +37 H u0 p0 c0 {12,S} +38 H u0 p0 c0 {12,S} +39 H u0 p0 c0 {13,S} +40 H u0 p0 c0 {13,S} +41 H u0 p0 c0 {13,S} +42 H u0 p0 c0 {14,S} +43 H u0 p0 c0 {14,S} +44 H u0 p0 c0 {14,S} +45 H u0 p0 c0 {15,S} +46 H u0 p0 c0 {15,S} + +Farnesane +1 C u0 p0 c0 {4,S} {8,S} {11,S} {16,S} +2 C u0 p0 c0 {5,S} {6,S} {12,S} {17,S} +3 C u0 p0 c0 {7,S} {13,S} {14,S} {18,S} +4 C u0 p0 c0 {1,S} {9,S} {21,S} {22,S} +5 C u0 p0 c0 {2,S} {9,S} {25,S} {26,S} +6 C u0 p0 c0 {2,S} {10,S} {27,S} {28,S} +7 C u0 p0 c0 {3,S} {10,S} {31,S} {32,S} +8 C u0 p0 c0 {1,S} {15,S} {19,S} {20,S} +9 C u0 p0 c0 {4,S} {5,S} {23,S} {24,S} +10 C u0 p0 c0 {6,S} {7,S} {29,S} {30,S} +11 C u0 p0 c0 {1,S} {36,S} {37,S} {38,S} +12 C u0 p0 c0 {2,S} {39,S} {40,S} {41,S} +13 C u0 p0 c0 {3,S} {42,S} {43,S} {44,S} +14 C u0 p0 c0 {3,S} {45,S} {46,S} {47,S} +15 C u0 p0 c0 {8,S} {33,S} {34,S} {35,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {5,S} +26 H u0 p0 c0 {5,S} +27 H u0 p0 c0 {6,S} +28 H u0 p0 c0 {6,S} +29 H u0 p0 c0 {10,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {7,S} +32 H u0 p0 c0 {7,S} +33 H u0 p0 c0 {15,S} +34 H u0 p0 c0 {15,S} +35 H u0 p0 c0 {15,S} +36 H u0 p0 c0 {11,S} +37 H u0 p0 c0 {11,S} +38 H u0 p0 c0 {11,S} +39 H u0 p0 c0 {12,S} +40 H u0 p0 c0 {12,S} +41 H u0 p0 c0 {12,S} +42 H u0 p0 c0 {13,S} +43 H u0 p0 c0 {13,S} +44 H u0 p0 c0 {13,S} +45 H u0 p0 c0 {14,S} +46 H u0 p0 c0 {14,S} +47 H u0 p0 c0 {14,S} + +b-iC15H31 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {10,S} {16,S} +2 C u0 p0 c0 {6,S} {11,S} {12,S} {17,S} +3 C u0 p0 c0 {7,S} {13,S} {15,S} {18,S} +4 C u0 p0 c0 {1,S} {8,S} {23,S} {24,S} +5 C u0 p0 c0 {1,S} {9,S} {25,S} {26,S} +6 C u0 p0 c0 {2,S} {9,S} {29,S} {30,S} +7 C u0 p0 c0 {3,S} {8,S} {19,S} {20,S} +8 C u0 p0 c0 {4,S} {7,S} {21,S} {22,S} +9 C u0 p0 c0 {5,S} {6,S} {27,S} {28,S} +10 C u0 p0 c0 {1,S} {34,S} {35,S} {36,S} +11 C u0 p0 c0 {2,S} {37,S} {38,S} {39,S} +12 C u0 p0 c0 {2,S} {40,S} {41,S} {42,S} +13 C u0 p0 c0 {3,S} {31,S} {32,S} {33,S} +14 C u0 p0 c0 {15,S} {43,S} {44,S} {45,S} +15 C u1 p0 c0 {3,S} {14,S} {46,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {4,S} +25 H u0 p0 c0 {5,S} +26 H u0 p0 c0 {5,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {6,S} +30 H u0 p0 c0 {6,S} +31 H u0 p0 c0 {13,S} +32 H u0 p0 c0 {13,S} +33 H u0 p0 c0 {13,S} +34 H u0 p0 c0 {10,S} +35 H u0 p0 c0 {10,S} +36 H u0 p0 c0 {10,S} +37 H u0 p0 c0 {11,S} +38 H u0 p0 c0 {11,S} +39 H u0 p0 c0 {11,S} +40 H u0 p0 c0 {12,S} +41 H u0 p0 c0 {12,S} +42 H u0 p0 c0 {12,S} +43 H u0 p0 c0 {14,S} +44 H u0 p0 c0 {14,S} +45 H u0 p0 c0 {14,S} +46 H u0 p0 c0 {15,S} + +c-iC15H31 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {10,S} {16,S} +2 C u0 p0 c0 {5,S} {11,S} {12,S} {17,S} +3 C u0 p0 c0 {1,S} {7,S} {20,S} {21,S} +4 C u0 p0 c0 {1,S} {6,S} {22,S} {23,S} +5 C u0 p0 c0 {2,S} {6,S} {26,S} {27,S} +6 C u0 p0 c0 {4,S} {5,S} {24,S} {25,S} +7 C u0 p0 c0 {3,S} {8,S} {18,S} {19,S} +8 C u0 p0 c0 {7,S} {15,S} {30,S} {31,S} +9 C u0 p0 c0 {13,S} {15,S} {28,S} {29,S} +10 C u0 p0 c0 {1,S} {35,S} {36,S} {37,S} +11 C u0 p0 c0 {2,S} {38,S} {39,S} {40,S} +12 C u0 p0 c0 {2,S} {41,S} {42,S} {43,S} +13 C u0 p0 c0 {9,S} {32,S} {33,S} {34,S} +14 C u0 p0 c0 {15,S} {44,S} {45,S} {46,S} +15 C u1 p0 c0 {8,S} {9,S} {14,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {3,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {5,S} +27 H u0 p0 c0 {5,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {8,S} +31 H u0 p0 c0 {8,S} +32 H u0 p0 c0 {13,S} +33 H u0 p0 c0 {13,S} +34 H u0 p0 c0 {13,S} +35 H u0 p0 c0 {10,S} +36 H u0 p0 c0 {10,S} +37 H u0 p0 c0 {10,S} +38 H u0 p0 c0 {11,S} +39 H u0 p0 c0 {11,S} +40 H u0 p0 c0 {11,S} +41 H u0 p0 c0 {12,S} +42 H u0 p0 c0 {12,S} +43 H u0 p0 c0 {12,S} +44 H u0 p0 c0 {14,S} +45 H u0 p0 c0 {14,S} +46 H u0 p0 c0 {14,S} + +d-iC15H31 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {11,S} {16,S} +2 C u0 p0 c0 {6,S} {12,S} {13,S} {17,S} +3 C u0 p0 c0 {7,S} {10,S} {15,S} {18,S} +4 C u0 p0 c0 {1,S} {8,S} {25,S} {26,S} +5 C u0 p0 c0 {1,S} {9,S} {27,S} {28,S} +6 C u0 p0 c0 {2,S} {9,S} {31,S} {32,S} +7 C u0 p0 c0 {3,S} {8,S} {21,S} {22,S} +8 C u0 p0 c0 {4,S} {7,S} {23,S} {24,S} +9 C u0 p0 c0 {5,S} {6,S} {29,S} {30,S} +10 C u0 p0 c0 {3,S} {14,S} {19,S} {20,S} +11 C u0 p0 c0 {1,S} {36,S} {37,S} {38,S} +12 C u0 p0 c0 {2,S} {39,S} {40,S} {41,S} +13 C u0 p0 c0 {2,S} {42,S} {43,S} {44,S} +14 C u0 p0 c0 {10,S} {33,S} {34,S} {35,S} +15 C u1 p0 c0 {3,S} {45,S} {46,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {4,S} +26 H u0 p0 c0 {4,S} +27 H u0 p0 c0 {5,S} +28 H u0 p0 c0 {5,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {6,S} +32 H u0 p0 c0 {6,S} +33 H u0 p0 c0 {14,S} +34 H u0 p0 c0 {14,S} +35 H u0 p0 c0 {14,S} +36 H u0 p0 c0 {11,S} +37 H u0 p0 c0 {11,S} +38 H u0 p0 c0 {11,S} +39 H u0 p0 c0 {12,S} +40 H u0 p0 c0 {12,S} +41 H u0 p0 c0 {12,S} +42 H u0 p0 c0 {13,S} +43 H u0 p0 c0 {13,S} +44 H u0 p0 c0 {13,S} +45 H u0 p0 c0 {15,S} +46 H u0 p0 c0 {15,S} + +b-iC13H27 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {9,S} {14,S} +2 C u0 p0 c0 {1,S} {5,S} {21,S} {22,S} +3 C u0 p0 c0 {1,S} {6,S} {23,S} {24,S} +4 C u0 p0 c0 {5,S} {7,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} +6 C u0 p0 c0 {3,S} {8,S} {25,S} {26,S} +7 C u0 p0 c0 {4,S} {10,S} {15,S} {16,S} +8 C u0 p0 c0 {6,S} {13,S} {27,S} {28,S} +9 C u0 p0 c0 {1,S} {32,S} {33,S} {34,S} +10 C u0 p0 c0 {7,S} {29,S} {30,S} {31,S} +11 C u0 p0 c0 {13,S} {35,S} {36,S} {37,S} +12 C u0 p0 c0 {13,S} {38,S} {39,S} {40,S} +13 C u1 p0 c0 {8,S} {11,S} {12,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {2,S} +22 H u0 p0 c0 {2,S} +23 H u0 p0 c0 {3,S} +24 H u0 p0 c0 {3,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {10,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {9,S} +33 H u0 p0 c0 {9,S} +34 H u0 p0 c0 {9,S} +35 H u0 p0 c0 {11,S} +36 H u0 p0 c0 {11,S} +37 H u0 p0 c0 {11,S} +38 H u0 p0 c0 {12,S} +39 H u0 p0 c0 {12,S} +40 H u0 p0 c0 {12,S} + +d-iC12H25 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {9,S} {13,S} +2 C u0 p0 c0 {5,S} {10,S} {12,S} {14,S} +3 C u0 p0 c0 {1,S} {6,S} {19,S} {20,S} +4 C u0 p0 c0 {1,S} {7,S} {21,S} {22,S} +5 C u0 p0 c0 {2,S} {6,S} {15,S} {16,S} +6 C u0 p0 c0 {3,S} {5,S} {17,S} {18,S} +7 C u0 p0 c0 {4,S} {8,S} {23,S} {24,S} +8 C u0 p0 c0 {7,S} {11,S} {25,S} {26,S} +9 C u0 p0 c0 {1,S} {30,S} {31,S} {32,S} +10 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} +11 C u0 p0 c0 {8,S} {33,S} {34,S} {35,S} +12 C u1 p0 c0 {2,S} {36,S} {37,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {10,S} +28 H u0 p0 c0 {10,S} +29 H u0 p0 c0 {10,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {9,S} +32 H u0 p0 c0 {9,S} +33 H u0 p0 c0 {11,S} +34 H u0 p0 c0 {11,S} +35 H u0 p0 c0 {11,S} +36 H u0 p0 c0 {12,S} +37 H u0 p0 c0 {12,S} + +iC15H30 +1 C u0 p0 c0 {4,S} {8,S} {9,S} {16,S} +2 C u0 p0 c0 {5,S} {10,S} {11,S} {17,S} +3 C u0 p0 c0 {7,S} {12,S} {14,S} {18,S} +4 C u0 p0 c0 {1,S} {6,S} {21,S} {22,S} +5 C u0 p0 c0 {2,S} {6,S} {25,S} {26,S} +6 C u0 p0 c0 {4,S} {5,S} {23,S} {24,S} +7 C u0 p0 c0 {3,S} {13,S} {19,S} {20,S} +8 C u0 p0 c0 {1,S} {15,S} {27,S} {28,S} +9 C u0 p0 c0 {1,S} {35,S} {36,S} {37,S} +10 C u0 p0 c0 {2,S} {38,S} {39,S} {40,S} +11 C u0 p0 c0 {2,S} {41,S} {42,S} {43,S} +12 C u0 p0 c0 {3,S} {32,S} {33,S} {34,S} +13 C u0 p0 c0 {7,S} {29,S} {30,S} {31,S} +14 C u0 p0 c0 {3,S} {15,D} {44,S} +15 C u0 p0 c0 {8,S} {14,D} {45,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {5,S} +26 H u0 p0 c0 {5,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {13,S} +30 H u0 p0 c0 {13,S} +31 H u0 p0 c0 {13,S} +32 H u0 p0 c0 {12,S} +33 H u0 p0 c0 {12,S} +34 H u0 p0 c0 {12,S} +35 H u0 p0 c0 {9,S} +36 H u0 p0 c0 {9,S} +37 H u0 p0 c0 {9,S} +38 H u0 p0 c0 {10,S} +39 H u0 p0 c0 {10,S} +40 H u0 p0 c0 {10,S} +41 H u0 p0 c0 {11,S} +42 H u0 p0 c0 {11,S} +43 H u0 p0 c0 {11,S} +44 H u0 p0 c0 {14,S} +45 H u0 p0 c0 {15,S} + +iC14H28 +1 C u0 p0 c0 {3,S} {9,S} {10,S} {15,S} +2 C u0 p0 c0 {4,S} {11,S} {12,S} {16,S} +3 C u0 p0 c0 {1,S} {5,S} {19,S} {20,S} +4 C u0 p0 c0 {2,S} {6,S} {23,S} {24,S} +5 C u0 p0 c0 {3,S} {7,S} {17,S} {18,S} +6 C u0 p0 c0 {4,S} {8,S} {21,S} {22,S} +7 C u0 p0 c0 {5,S} {13,S} {25,S} {26,S} +8 C u0 p0 c0 {6,S} {13,S} {27,S} {28,S} +9 C u0 p0 c0 {1,S} {29,S} {30,S} {31,S} +10 C u0 p0 c0 {1,S} {32,S} {33,S} {34,S} +11 C u0 p0 c0 {2,S} {35,S} {36,S} {37,S} +12 C u0 p0 c0 {2,S} {38,S} {39,S} {40,S} +13 C u0 p0 c0 {7,S} {8,S} {14,D} +14 C u0 p0 c0 {13,D} {41,S} {42,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {4,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {9,S} +32 H u0 p0 c0 {10,S} +33 H u0 p0 c0 {10,S} +34 H u0 p0 c0 {10,S} +35 H u0 p0 c0 {11,S} +36 H u0 p0 c0 {11,S} +37 H u0 p0 c0 {11,S} +38 H u0 p0 c0 {12,S} +39 H u0 p0 c0 {12,S} +40 H u0 p0 c0 {12,S} +41 H u0 p0 c0 {14,S} +42 H u0 p0 c0 {14,S} + diff --git a/input/kinetics/libraries/DLR/reactions.py b/input/kinetics/libraries/DLR/reactions.py new file mode 100644 index 0000000000..8f647bee4d --- /dev/null +++ b/input/kinetics/libraries/DLR/reactions.py @@ -0,0 +1,23056 @@ +#!/usr/bin/env python +# encoding: utf-8 + +name = "DLR" +shortDesc = "" +longDesc = """ + +""" + +entry( + index = 0, + label = "C + OH <=> CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1, + label = "O2 + C <=> CO + O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+14,'cm^3/(mol*s)'), n=0, Ea=(16711.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2, + label = "CO + HO2 <=> CO2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(320000,'cm^3/(mol*s)'), n=2.18, Ea=(75079.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 3, + label = "CO + O <=> CO2", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(6.17e+14,'cm^6/(mol^2*s)'), n=0, Ea=(12550.7,'J/mol'), T0=(1,'K')), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 16.25, 'O=C=O': 3.75, '[Ar]': 0.87, '[C-]#[O+]': 1.87, '[H][H]': 2.5, '[He]': 0.87}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 4, + label = "CO + OH <=> CO2 + H", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(1.01e+11,'cm^3/(mol*s)'), n=0, Ea=(249.434,'J/mol'), T0=(1,'K')), Arrhenius(A=(9.03e+11,'cm^3/(mol*s)'), n=0, Ea=(19123.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.01e+13,'cm^3/(mol*s)'), n=0, Ea=(66931.5,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 5, + label = "O2 + CO <=> CO2 + O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+13,'cm^3/(mol*s)'), n=0, Ea=(196911,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 6, + label = "CH + OH <=> HCO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 7, + label = "CH + CO2 <=> HCO + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.383e+07,'cm^3/(mol*s)'), n=1.51, Ea=(-2993.21,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 8, + label = "HCO <=> CO + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(5.7e+11,'cm^3/(mol*s)'), n=0.66, Ea=(62128.7,'J/mol'), T0=(1,'K')), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 9, + label = "HCO + HO2 <=> CO2 + OH + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 10, + label = "HCO + OH <=> CO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.011e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 11, + label = "HCO + O <=> CO2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.01e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 12, + label = "HCO + O <=> CO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.01e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 13, + label = "HCO + H <=> CO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 14, + label = "HCO + O2 <=> HO2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.7e+10,'cm^3/(mol*s)'), n=0.68, Ea=(-1962.22,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 15, + label = "CH + CO <=> HCCO", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.024e+15,'cm^3/(mol*s)'), n=-0.4, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.285e+24,'cm^6/(mol^2*s)'), n=-2.5, Ea=(0,'J/mol'), T0=(1,'K')), alpha=0.6, T3=(1e-31,'K'), T1=(1e+31,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 16, + label = "HCCO + OH => H2 + CO + CO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 17, + label = "HCCO + O <=> CO + CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.64e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 18, + label = "HCCO + H <=> CH2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.06e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 19, + label = "HCCO + O2 => OH + CO + CO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.91e+11,'cm^3/(mol*s)'), n=-0.02, Ea=(4261.69,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 20, + label = "HCCO + O2 => CO2 + CO + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.78e+12,'cm^3/(mol*s)'), n=-0.142, Ea=(4804.84,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 21, + label = "CH2O <=> HCO + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(4.872e+15,'cm^3/(mol*s)'), n=0, Ea=(316366,'J/mol'), T0=(1,'K')), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.2, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 22, + label = "CH2O <=> H2 + CO", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(2.83e+15,'cm^3/(mol*s)'), n=0, Ea=(266895,'J/mol'), T0=(1,'K')), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.2, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 23, + label = "CH2O + H <=> HCO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.74e+07,'cm^3/(mol*s)'), n=1.9, Ea=(11448,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 24, + label = "CH2O + O <=> HCO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.16e+11,'cm^3/(mol*s)'), n=0.57, Ea=(11560.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 25, + label = "CH2O + OH <=> HCO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.391e+13,'cm^3/(mol*s)'), n=0, Ea=(2527.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 26, + label = "CH2O + HO2 <=> HCO + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(40950,'cm^3/(mol*s)'), n=2.5, Ea=(42736.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 27, + label = "CH2O + O2 <=> HCO + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.07e+15,'cm^3/(mol*s)'), n=0, Ea=(223195,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 28, + label = "CH2OH <=> CH2O + H", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.8e+14,'s^-1'), n=-0.73, Ea=(137314,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.022e+33,'cm^3/(mol*s)'), n=-5.39, Ea=(151465,'J/mol'), T0=(1,'K')), alpha=0.96, T3=(67.6,'K'), T1=(1855,'K'), T2=(7543,'K'), efficiencies={'C': 1.0, 'N#N': 0.4, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.35, '[C-]#[O+]': 0.75, '[H][H]': 1.0, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 29, + label = "CH2OH + H <=> CH2O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.445e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 30, + label = "CH2OH + H <=> CH3 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.635e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 31, + label = "CH2OH + O <=> CH2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.221e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 32, + label = "CH2OH + OH <=> CH2O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.409e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 33, + label = "CH2OH + HCO <=> CH2O + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.807e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 34, + label = "CH2OH + CH3 <=> CH2O + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.409e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 35, + label = "CH2OH + O2 <=> CH2O + HO2", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(1.51e+15,'cm^3/(mol*s)'), n=-1, Ea=(0,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.41e+14,'cm^3/(mol*s)'), n=0, Ea=(20961.7,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 36, + label = "CH2OH + HO2 <=> CH2O + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 37, + label = "CH2CO <=> CH2 + CO", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(2.3e+15,'cm^3/(mol*s)'), n=0, Ea=(240545,'J/mol'), T0=(1,'K')), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.2, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 38, + label = "CH2CO + H <=> CH3 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.252e+10,'cm^3/(mol*s)'), n=0.85, Ea=(11889.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 39, + label = "CH2CO + H <=> HCCO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.401e+15,'cm^3/(mol*s)'), n=-0.171, Ea=(36697.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 40, + label = "CH2CO + OH <=> CH3 + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.553e+11,'cm^3/(mol*s)'), n=0, Ea=(-4240.38,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 41, + label = "CH2CO + OH <=> CH2OH + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.012e+12,'cm^3/(mol*s)'), n=0, Ea=(-4240.38,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 42, + label = "CH2CO + OH <=> HCCO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.686e+10,'cm^3/(mol*s)'), n=0, Ea=(-4240.38,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 43, + label = "CH2CO + O <=> CH2O + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.613e+11,'cm^3/(mol*s)'), n=0, Ea=(5653.84,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 44, + label = "CH2CO + O <=> HCO + H + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.807e+11,'cm^3/(mol*s)'), n=0, Ea=(5653.84,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 45, + label = "CH2CO + O <=> HCO + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.807e+11,'cm^3/(mol*s)'), n=0, Ea=(5653.84,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 46, + label = "CH2CO + O <=> CH2 + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.084e+12,'cm^3/(mol*s)'), n=0, Ea=(5653.84,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 47, + label = "CH2O + H <=> CH3O", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.08e+11,'cm^3/(mol*s)'), n=0.5, Ea=(10808.8,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.2e+30,'cm^6/(mol^2*s)'), n=-4.8, Ea=(23114.2,'J/mol'), T0=(1,'K')), alpha=0.758, T3=(94,'K'), T1=(1555,'K'), T2=(4200,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 48, + label = "CH3O + H <=> CH2O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.794e+13,'cm^3/(mol*s)'), n=0, Ea=(2494.34,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 49, + label = "CH3 + OH => CH3O + H", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(6.943e+07,'cm^3/(mol*s)'), n=1.343, Ea=(46795,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 50, + label = "CH3O + H => CH3 + OH", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1.5e+12,'cm^3/(mol*s)'), n=0.5, Ea=(-459.594,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 51, + label = "CH3O + O <=> CH3 + O2", + degeneracy = 1.0, + duplicate = True, + kinetics = Arrhenius(A=(1.129e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 52, + label = "CH3 + O2 <=> CH3O + O", + degeneracy = 1.0, + duplicate = True, + kinetics = Arrhenius(A=(2.108e+13,'cm^3/(mol*s)'), n=0, Ea=(135858,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 53, + label = "CH3O + O <=> CH2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.764e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 54, + label = "CH3 + HO2 <=> CH3O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0.269, Ea=(-2872.46,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 55, + label = "CH3O + O2 <=> CH2O + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.17e+10,'cm^3/(mol*s)'), n=0, Ea=(7316.74,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 56, + label = "CH3OH <=> CH3 + OH", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.084e+18,'s^-1'), n=-0.615, Ea=(386646,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.5e+43,'cm^3/(mol*s)'), n=-6.995, Ea=(409424,'J/mol'), T0=(1,'K')), alpha=-0.4748, T3=(35580,'K'), T1=(1116,'K'), T2=(9023,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 57, + label = "CH2OH + H <=> CH3OH", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.06e+12,'cm^3/(mol*s)'), n=0.5, Ea=(359.185,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(4.36e+31,'cm^6/(mol^2*s)'), n=-4.65, Ea=(21225.2,'J/mol'), T0=(1,'K')), alpha=0.6, T3=(100,'K'), T1=(90000,'K'), T2=(10000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 58, + label = "CH3O + H <=> CH3OH", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.43e+12,'cm^3/(mol*s)'), n=0.5, Ea=(208.693,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(4.66e+41,'cm^6/(mol^2*s)'), n=-7.44, Ea=(58828,'J/mol'), T0=(1,'K')), alpha=0.7, T3=(100,'K'), T1=(90000,'K'), T2=(10000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 59, + label = "CH3OH <=> CH2(S) + H2O", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.121e+18,'s^-1'), n=-1.017, Ea=(383184,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.43e+47,'cm^3/(mol*s)'), n=-8.227, Ea=(415377,'J/mol'), T0=(1,'K')), alpha=2.545, T3=(3290,'K'), T1=(47320,'K'), T2=(47110,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 60, + label = "CH3OH + HO2 <=> CH2OH + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+13,'cm^3/(mol*s)'), n=0, Ea=(81055.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 61, + label = "CH3OH + O2 <=> CH2OH + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.05e+13,'cm^3/(mol*s)'), n=0, Ea=(187598,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 62, + label = "CH3OH + H <=> CH2OH + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.089e+09,'cm^3/(mol*s)'), n=1.24, Ea=(18790.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 63, + label = "CH3OH + H <=> CH3O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.433e+08,'cm^3/(mol*s)'), n=1.24, Ea=(18790.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 64, + label = "CH3OH + O <=> CH2OH + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.222e+13,'cm^3/(mol*s)'), n=0, Ea=(22199.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 65, + label = "CH3OH + O <=> CH3O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.469e+12,'cm^3/(mol*s)'), n=0, Ea=(22199.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 66, + label = "CH3OH + OH <=> CH2OH + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.272e+06,'cm^3/(mol*s)'), n=1.92, Ea=(-1197.28,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 67, + label = "CH3OH + OH <=> CH3O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(930400,'cm^3/(mol*s)'), n=1.92, Ea=(-1197.28,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 68, + label = "CH3OH + CH3 <=> CH2OH + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.936,'cm^3/(mol*s)'), n=3.45, Ea=(33424.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 69, + label = "CH3OH + CH3 <=> CH3O + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(20.17,'cm^3/(mol*s)'), n=3.45, Ea=(33424.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 70, + label = "CH2HCO <=> CH2CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.81e+43,'s^-1'), n=-9.61, Ea=(191642,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 71, + label = "CH2HCO + H <=> CH3 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 72, + label = "CH2HCO + H <=> CH3CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 73, + label = "CH2HCO + H <=> CH2CO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(16712.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 74, + label = "CH2HCO + O <=> CH2CO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(16712.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 75, + label = "CH2HCO + OH <=> CH2CO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(8356.04,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 76, + label = "CH2HCO + O2 <=> CH2CO + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 77, + label = "CH3CHO <=> CH3 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+15,'s^-1'), n=0, Ea=(341244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 78, + label = "CH3CHO + H <=> CH3CO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.1e+09,'cm^3/(mol*s)'), n=1.16, Ea=(10060.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 79, + label = "CH3CHO + OH <=> CH3CO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.891e+08,'cm^3/(mol*s)'), n=1.35, Ea=(-6585.06,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 80, + label = "CH3CHO + O <=> CH3CO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.8e+12,'cm^3/(mol*s)'), n=0, Ea=(7566.17,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 81, + label = "CH3CHO + HO2 <=> CH3CO + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(40950,'cm^3/(mol*s)'), n=2.5, Ea=(42694.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 82, + label = "CH3CHO + CH3 <=> CH3CO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.9e-07,'cm^3/(mol*s)'), n=5.8, Ea=(9191.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 83, + label = "CH3CHO + O2 <=> CH3CO + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(120400,'cm^3/(mol*s)'), n=2.5, Ea=(157144,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 84, + label = "CH3CHO + H <=> CH2HCO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.85e+12,'cm^3/(mol*s)'), n=0.4, Ea=(22428.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 85, + label = "CH3CHO + OH <=> CH2HCO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+11,'cm^3/(mol*s)'), n=0, Ea=(-2594.12,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 86, + label = "CH3CHO + O <=> CH2HCO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.72e+13,'cm^3/(mol*s)'), n=-0.2, Ea=(14897,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 87, + label = "CH3CHO + HO2 <=> CH2HCO + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.32e+11,'cm^3/(mol*s)'), n=0.4, Ea=(62347.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 88, + label = "CH3CHO + CH3 <=> CH2HCO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(24.5,'cm^3/(mol*s)'), n=3.1, Ea=(23976.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 89, + label = "CH3CO <=> CH3 + CO", + degeneracy = 1.0, + kinetics = Lindemann(arrheniusHigh=Arrhenius(A=(3e+12,'s^-1'), n=0, Ea=(71753.9,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(4.215e+06,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 90, + label = "H + CH <=> C + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 91, + label = "CH + O <=> CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.97e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 92, + label = "O2 + CH <=> CO2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.469e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 93, + label = "O2 + CH <=> CO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.431e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 94, + label = "CH2 + O <=> CO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.19e+13,'cm^3/(mol*s)'), n=0, Ea=(2244.91,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 95, + label = "CH2 + O <=> CO + H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.23e+14,'cm^3/(mol*s)'), n=0, Ea=(2244.91,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 96, + label = "CH2 + H <=> CH + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.204e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 97, + label = "CH2 + O2 <=> CO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.72e+22,'cm^3/(mol*s)'), n=-3.3, Ea=(11947.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 98, + label = "CH2 + O2 <=> CO2 + H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.613e+21,'cm^3/(mol*s)'), n=-3.3, Ea=(11947.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 99, + label = "CH2 + O2 <=> CO2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.613e+21,'cm^3/(mol*s)'), n=-3.3, Ea=(11947.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 100, + label = "CH2(S) + AR <=> CH2 + AR", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.807e+10,'cm^3/(mol*s)'), n=0.93, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 101, + label = "CH2(S) + N2 <=> CH2 + N2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.204e+13,'cm^3/(mol*s)'), n=0, Ea=(1970.53,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 102, + label = "CH2(S) + O2 <=> CH2 + O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.131e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 103, + label = "CH2(S) + H2 <=> CH2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.022e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 104, + label = "CH3 <=> CH2 + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(1.024e+16,'cm^3/(mol*s)'), n=0, Ea=(379140,'J/mol'), T0=(1,'K')), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.4, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 105, + label = "CH3 <=> CH + H2", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(6.624e+16,'cm^3/(mol*s)'), n=0, Ea=(355859,'J/mol'), T0=(1,'K')), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.4, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 106, + label = "CH3 + OH <=> CH2(S) + H2O", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.01,0.1,1,10,100],'atm'), arrhenius=[Arrhenius(A=(4.936e+14,'cm^3/(mol*s)'), n=-0.669, Ea=(-1862.61,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.207e+15,'cm^3/(mol*s)'), n=-0.778, Ea=(-733.669,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.282e+17,'cm^3/(mol*s)'), n=-1.518, Ea=(7403.62,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.788e+23,'cm^3/(mol*s)'), n=-3.155, Ea=(29259.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.433e+19,'cm^3/(mol*s)'), n=-1.962, Ea=(34444.4,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 107, + label = "CH2(S) + H2 <=> CH3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 108, + label = "CH3 + O <=> CH2O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.745e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 109, + label = "CH3 + O <=> CO + H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.686e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 110, + label = "CH3 + O2 <=> CH2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.641,'cm^3/(mol*s)'), n=3.28, Ea=(33863.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 111, + label = "CH3 + H <=> CH4", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.27e+16,'cm^3/(mol*s)'), n=-0.63, Ea=(1600.2,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.477e+33,'cm^6/(mol^2*s)'), n=-4.76, Ea=(10194.6,'J/mol'), T0=(1,'K')), alpha=0.783, T3=(74,'K'), T1=(2941,'K'), T2=(6964,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0, '[He]': 0.7}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 112, + label = "CH4 + O <=> CH3 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.02e+09,'cm^3/(mol*s)'), n=1.5, Ea=(35931.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 113, + label = "CH4 + O2 <=> CH3 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(487800,'cm^3/(mol*s)'), n=2.5, Ea=(219253,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 114, + label = "CH4 + H <=> CH3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(614300,'cm^3/(mol*s)'), n=2.5, Ea=(40055.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 115, + label = "CH4 + OH <=> CH3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.367e+06,'cm^3/(mol*s)'), n=2.18, Ea=(11224.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 116, + label = "CH4 + HO2 <=> CH3 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(46970,'cm^3/(mol*s)'), n=2.5, Ea=(87884,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 117, + label = "CH4 + CH2(S) <=> CH3 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.401e+12,'cm^3/(mol*s)'), n=0, Ea=(-2078.62,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 118, + label = "CH4 + CH2(S) <=> C2H5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.401e+12,'cm^3/(mol*s)'), n=0, Ea=(-2078.62,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 119, + label = "CH3 + CH2O <=> CH4 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(38.3,'cm^3/(mol*s)'), n=3.36, Ea=(18042.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 120, + label = "CH3 + HCO <=> CH4 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.48e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 121, + label = "CH3 + O2 <=> CH3O2", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(7.812e+09,'cm^3/(mol*s)'), n=0.9, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.85e+24,'cm^6/(mol^2*s)'), n=-3, Ea=(0,'J/mol'), T0=(1,'K')), alpha=0.6, T3=(1000,'K'), T1=(70,'K'), T2=(1700,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 122, + label = "CH3O2 + CH3 => CH3O + CH3O", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(5.08e+12,'cm^3/(mol*s)'), n=0, Ea=(-5895.33,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 123, + label = "CH3O + CH3O => CH3O2 + CH3", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1.967e+12,'cm^3/(mol*s)'), n=0.176, Ea=(117280,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 124, + label = "CH3O2 + H => CH3O + OH", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(9.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 125, + label = "CH3O + OH => CH3O2 + H", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1.72e+09,'cm^3/(mol*s)'), n=1.019, Ea=(170384,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 126, + label = "CH3O2 + O => CH3O + O2", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(3.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 127, + label = "CH3O + O2 => CH3O2 + O", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(2.229e+11,'cm^3/(mol*s)'), n=0.628, Ea=(240326,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 128, + label = "CH3O2 + OH => CH3OH + O2", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 129, + label = "CH3OH + O2 => CH3O2 + OH", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1.536e+13,'cm^3/(mol*s)'), n=0.434, Ea=(247178,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 130, + label = "CH3O2 + CH3O2 => O2 + CH3O + CH3O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.4e+16,'cm^3/(mol*s)'), n=-1.61, Ea=(7771.31,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 131, + label = "CH3O2H => CH3O + OH", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(6.31e+14,'s^-1'), n=0, Ea=(176735,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 132, + label = "CH3O + OH => CH3O2H", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(2.514e+06,'cm^3/(mol*s)'), n=1.883, Ea=(-12012.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 133, + label = "CH3O2 + CH2O => CH3O2H + HCO", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1.99e+12,'cm^3/(mol*s)'), n=0, Ea=(48717,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 134, + label = "CH3O2H + HCO => CH3O2 + CH2O", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1.323e+14,'cm^3/(mol*s)'), n=-0.853, Ea=(38685.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 135, + label = "CH4 + CH3O2 => CH3 + CH3O2H", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1.81e+11,'cm^3/(mol*s)'), n=0, Ea=(77211.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 136, + label = "CH3 + CH3O2H => CH4 + CH3O2", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(2.233e+12,'cm^3/(mol*s)'), n=-0.694, Ea=(-2736.68,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 137, + label = "CH3OH + CH3O2 => CH2OH + CH3O2H", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1.81e+12,'cm^3/(mol*s)'), n=0, Ea=(57282.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 138, + label = "CH2OH + CH3O2H => CH3OH + CH3O2", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(2.346e+14,'cm^3/(mol*s)'), n=-1.031, Ea=(10044.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 139, + label = "CH3O2 + HO2 => CH3O2H + O2", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(2.47e+11,'cm^3/(mol*s)'), n=0, Ea=(-6559.66,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 140, + label = "CH3O2H + O2 => CH3O2 + HO2", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(5.302e+14,'cm^3/(mol*s)'), n=-0.792, Ea=(148407,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 141, + label = "CH3O2 + CH3O2 => CH2O + CH3OH + O2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3.11e+14,'cm^3/(mol*s)'), n=-1.61, Ea=(-4391.21,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 142, + label = "C2H + H <=> C2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.607e+13,'cm^3/(mol*s)'), n=0, Ea=(118007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 143, + label = "C2H + OH <=> CH2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.807e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 144, + label = "C2H + O <=> CH + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.962e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 145, + label = "C2H + O2 <=> CO + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.36e+13,'cm^3/(mol*s)'), n=-0.35, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 146, + label = "C2H + O2 <=> CO + CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.083e+14,'cm^3/(mol*s)'), n=-0.35, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 147, + label = "C2H2 <=> C2H + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(3.999e+16,'cm^3/(mol*s)'), n=0, Ea=(446156,'J/mol'), T0=(1,'K')), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.35, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 148, + label = "C2H2 + H <=> C2H + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.006e+10,'cm^3/(mol*s)'), n=1.64, Ea=(126796,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 149, + label = "C2H2 + O <=> HCCO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.394e+08,'cm^3/(mol*s)'), n=1.4, Ea=(9229.06,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 150, + label = "C2H2 + O <=> CH2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.349e+08,'cm^3/(mol*s)'), n=1.4, Ea=(9229.06,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 151, + label = "C2H2 + OH <=> CH2CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000218,'cm^3/(mol*s)'), n=4.5, Ea=(-4178.13,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 152, + label = "C2H2 + OH <=> C2H + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+07,'cm^3/(mol*s)'), n=2, Ea=(58493.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 153, + label = "C2H2 + OH <=> CH3 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000483,'cm^3/(mol*s)'), n=4, Ea=(-8356.29,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 154, + label = "C2H2 + O2 <=> C2H + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(312018,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 155, + label = "C2H2 + HO2 => CH2 + CO + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6.09e+09,'cm^3/(mol*s)'), n=0, Ea=(33262,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 156, + label = "C2H2 + CH2OH <=> CH2O + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.2e+11,'cm^3/(mol*s)'), n=0, Ea=(37415.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 157, + label = "C2H2 + CO <=> C2H + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.818e+14,'cm^3/(mol*s)'), n=0, Ea=(446026,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 158, + label = "C2H2 + CH3 <=> C2H + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.813e+11,'cm^3/(mol*s)'), n=0, Ea=(72203.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 159, + label = "C2H2 <=> H2CC", + degeneracy = 1.0, + kinetics = Lindemann(arrheniusHigh=Arrhenius(A=(8e+14,'s^-1'), n=-0.52, Ea=(212040,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.45e+15,'cm^3/(mol*s)'), n=-0.64, Ea=(207653,'J/mol'), T0=(1,'K')), efficiencies={'C': 2.0, 'C#C': 2.5, 'C=C': 2.5, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 160, + label = "H2CC + H <=> C2H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 161, + label = "H2CC + OH <=> CH2CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 162, + label = "H2CC + O2 <=> HCO + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 163, + label = "C2H3 <=> C2H2 + H", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.86e+08,'s^-1'), n=1.62, Ea=(155065,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.565e+27,'cm^3/(mol*s)'), n=-3.4, Ea=(149835,'J/mol'), T0=(1,'K')), alpha=1.9816, T3=(5383.7,'K'), T1=(4.2932,'K'), T2=(-0.0795,'K'), efficiencies={'C': 2.0, 'C#C': 3.0, 'C=C': 3.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 164, + label = "C2H3 + H <=> C2H2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.215e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 165, + label = "C2H3 + O <=> CH3 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 166, + label = "C2H3 + O <=> C2H2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 167, + label = "C2H3 + O <=> CH2 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 168, + label = "C2H3 + OH <=> C2H2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 169, + label = "C2H3 + CH3 <=> C2H2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.92e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 170, + label = "C2H3 + HO2 <=> CH2HCO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 171, + label = "C2H3 + O2 <=> HCO + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.6e+16,'cm^3/(mol*s)'), n=-1.39, Ea=(4219.91,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 172, + label = "C2H3 + O2 <=> CH2HCO + O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0.29, Ea=(44.8981,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 173, + label = "C2H3 + O2 <=> C2H2 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.34e+06,'cm^3/(mol*s)'), n=1.61, Ea=(-1604.69,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 174, + label = "C2H3 + C2H <=> C2H2 + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.635e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 175, + label = "C2H3 + CH2 <=> C2H2 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.81e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 176, + label = "C2H4 <=> C2H2 + H2", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(2.047e+17,'cm^3/(mol*s)'), n=0, Ea=(327507,'J/mol'), T0=(1,'K')), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.35, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 177, + label = "C2H4 <=> C2H3 + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(2.589e+17,'cm^3/(mol*s)'), n=0, Ea=(404083,'J/mol'), T0=(1,'K')), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.2, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 178, + label = "C2H4 + H <=> C2H3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(235,'cm^3/(mol*s)'), n=3.63, Ea=(47143.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 179, + label = "CH + CH4 <=> C2H4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.325e+16,'cm^3/(mol*s)'), n=-0.94, Ea=(241.12,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 180, + label = "CH2 + CH3 <=> C2H4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.227e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 181, + label = "C2H4 + O <=> CH2HCO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.742e+06,'cm^3/(mol*s)'), n=1.88, Ea=(764.931,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 182, + label = "C2H4 + O <=> HCO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.13e+06,'cm^3/(mol*s)'), n=1.88, Ea=(764.931,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 183, + label = "C2H4 + O <=> CH2CO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(677500,'cm^3/(mol*s)'), n=1.88, Ea=(764.931,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 184, + label = "C2H4 + OH <=> C2H3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=2, Ea=(10443,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 185, + label = "C2H4 + CH3 <=> C2H3 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.022e+07,'cm^3/(mol*s)'), n=1.56, Ea=(69592.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 186, + label = "C2H3 + C2H3 <=> C2H2 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.431e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 187, + label = "C2H4 + CO <=> C2H3 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.512e+14,'cm^3/(mol*s)'), n=0, Ea=(378284,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 188, + label = "C2H4 + O2 <=> C2H3 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.2e+13,'cm^3/(mol*s)'), n=0, Ea=(239457,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 189, + label = "C2H4 + H <=> C2H5", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.367e+09,'cm^3/(mol*s)'), n=1.463, Ea=(5662.16,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.027e+39,'cm^6/(mol^2*s)'), n=-6.642, Ea=(24103.7,'J/mol'), T0=(1,'K')), alpha=-0.569, T3=(299,'K'), T1=(-9147,'K'), T2=(152.4,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 190, + label = "C2H5 + CH3 <=> C2H4 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.033e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 191, + label = "C2H5 + O <=> CH3CHO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 192, + label = "C2H5 + O <=> CH2O + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.975e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 193, + label = "C2H5 + O <=> C2H4 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.65e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 194, + label = "C2H5 + H <=> C2H4 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.215e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 195, + label = "CH3 + CH3 <=> H + C2H5", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.01,0.1,1,10,100],'atm'), arrhenius=[Arrhenius(A=(4.74e+12,'cm^3/(mol*s)'), n=0.105, Ea=(44556.8,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.57e+13,'cm^3/(mol*s)'), n=-0.096, Ea=(47656.1,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.1e+14,'cm^3/(mol*s)'), n=-0.362, Ea=(55872,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.15e+10,'cm^3/(mol*s)'), n=0.885, Ea=(56540.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(103.2,'cm^3/(mol*s)'), n=3.23, Ea=(46945.8,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 196, + label = "C2H5 + O2 <=> C2H4 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 197, + label = "C2H5 + CH2OH <=> CH3OH + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 198, + label = "C2H5 + HCO <=> C2H6 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.21e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 199, + label = "CH3 + CH3 <=> C2H6", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.277e+15,'cm^3/(mol*s)'), n=-0.69, Ea=(730.759,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(8.054e+31,'cm^6/(mol^2*s)'), n=-3.75, Ea=(4101.28,'J/mol'), T0=(1,'K')), T3=(570,'K'), T1=(1e-30,'K'), T2=(1e+30,'K'), efficiencies={'O': 5.0, 'O=C=O': 3.0, '[C-]#[O+]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 200, + label = "C2H6 + H <=> C2H5 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.816e+13,'cm^3/(mol*s)'), n=0, Ea=(38579.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 201, + label = "C2H6 + O <=> C2H5 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(180700,'cm^3/(mol*s)'), n=2.8, Ea=(24278.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 202, + label = "C2H6 + OH <=> C2H5 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.154e+06,'cm^3/(mol*s)'), n=2, Ea=(4157.24,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 203, + label = "C2H6 + HO2 <=> C2H5 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(110200,'cm^3/(mol*s)'), n=2.5, Ea=(70506.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 204, + label = "C2H6 + O2 <=> C2H5 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(728700,'cm^3/(mol*s)'), n=2.5, Ea=(205700,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 205, + label = "C2H6 + CH <=> C2H4 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.08e+14,'cm^3/(mol*s)'), n=0, Ea=(-1097.51,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 206, + label = "C2H6 + CH3 <=> C2H5 + CH4", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(5.601e+10,'cm^3/(mol*s)'), n=0, Ea=(39410.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.431e+14,'cm^3/(mol*s)'), n=0, Ea=(93122.1,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 207, + label = "C2H5OH <=> C2H4 + H2O", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.79e+13,'s^-1'), n=0.09, Ea=(276739,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.57e+83,'cm^3/(mol*s)'), n=-18.85, Ea=(361763,'J/mol'), T0=(1,'K')), alpha=0.7, T3=(350,'K'), T1=(800,'K'), T2=(3800,'K'), efficiencies={'O': 6.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 208, + label = "C2H5OH <=> CH2OH + CH3", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(6e+23,'s^-1'), n=-1.68, Ea=(380803,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.88e+85,'cm^3/(mol*s)'), n=-18.9, Ea=(459957,'J/mol'), T0=(1,'K')), alpha=0.5, T3=(200,'K'), T1=(890,'K'), T2=(4600,'K'), efficiencies={'O': 5.0, 'O=C=O': 3.0, '[C-]#[O+]': 2.0, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 209, + label = "C2H5OH <=> C2H5 + OH", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.25e+21,'s^-1'), n=-1.54, Ea=(401123,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.252e+85,'cm^3/(mol*s)'), n=-18.81, Ea=(480194,'J/mol'), T0=(1,'K')), alpha=0.5, T3=(300,'K'), T1=(900,'K'), T2=(5000,'K'), efficiencies={'O': 5.0, 'O=C=O': 3.0, '[C-]#[O+]': 2.0, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 210, + label = "C2H5OH + O <=> CH3CHOH + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.88e+07,'cm^3/(mol*s)'), n=1.85, Ea=(7616.06,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 211, + label = "C2H5OH + O <=> CH2CH2OH + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.41e+07,'cm^3/(mol*s)'), n=1.7, Ea=(22847.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 212, + label = "C2H5OH + O <=> CH3CH2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+07,'cm^3/(mol*s)'), n=2, Ea=(18621.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 213, + label = "C2H5OH + H <=> CH3CH2O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+07,'cm^3/(mol*s)'), n=1.6, Ea=(12720.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 214, + label = "C2H5OH + H <=> CH3CHOH + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.58e+07,'cm^3/(mol*s)'), n=1.65, Ea=(11842.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 215, + label = "C2H5OH + H <=> CH2CH2OH + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.23e+07,'cm^3/(mol*s)'), n=1.8, Ea=(21340.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 216, + label = "C2H5OH + OH <=> CH3CH2O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.46e+11,'cm^3/(mol*s)'), n=0.3, Ea=(6826.18,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 217, + label = "C2H5OH + OH <=> CH3CHOH + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.64e+11,'cm^3/(mol*s)'), n=0.15, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 218, + label = "C2H5OH + OH <=> CH2CH2OH + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.74e+11,'cm^3/(mol*s)'), n=0.27, Ea=(2506.81,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 219, + label = "C2H5OH + HO2 <=> CH3CH2O + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+12,'cm^3/(mol*s)'), n=0, Ea=(100426,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 220, + label = "C2H5OH + HO2 <=> CH3CHOH + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8200,'cm^3/(mol*s)'), n=2.5, Ea=(45191.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 221, + label = "C2H5OH + HO2 <=> CH2CH2OH + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(12300,'cm^3/(mol*s)'), n=2.5, Ea=(66114.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 222, + label = "C2H5OH + CH3 <=> CH3CH2O + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(145,'cm^3/(mol*s)'), n=2.99, Ea=(32010.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 223, + label = "C2H5OH + CH3 <=> CH3CHOH + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(728,'cm^3/(mol*s)'), n=2.99, Ea=(33266.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 224, + label = "C2H5OH + CH3 <=> CH2CH2OH + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(219,'cm^3/(mol*s)'), n=3.18, Ea=(40254.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 225, + label = "C2H4 + OH <=> CH2CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.41e+11,'cm^3/(mol*s)'), n=0, Ea=(-9964.81,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 226, + label = "CH3CHOH <=> CH3CHO + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(104611,'J/mol'), T0=(1,'K')), efficiencies={'C': 2.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 227, + label = "CH3CHOH + H <=> C2H4 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 228, + label = "CH3CHOH + H <=> CH3 + CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 229, + label = "CH3CHOH + O <=> CH3CHO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 230, + label = "CH3CHOH + OH <=> CH3CHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 231, + label = "CH3CHOH + HO2 <=> CH3CHO + OH + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 232, + label = "CH3CHOH + CH3 <=> C3H6 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 233, + label = "CH3CHOH + O2 <=> CH3CHO + HO2", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(4.82e+13,'cm^3/(mol*s)'), n=0, Ea=(21005.7,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.43e+15,'cm^3/(mol*s)'), n=-1.2, Ea=(0,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 234, + label = "CH3CH2O <=> CH3 + CH2O", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(1.35e+38,'cm^3/(mol*s)'), n=-6.96, Ea=(99441.1,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 235, + label = "CH3CH2O <=> CH3CHO + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(1.16e+35,'cm^3/(mol*s)'), n=-5.89, Ea=(105598,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 236, + label = "CH3CH2O + H <=> C2H4 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 237, + label = "CH3CH2O + H <=> CH3 + CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 238, + label = "CH3CH2O + OH <=> CH3CHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 239, + label = "C2H5 + HO2 <=> CH3CH2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 240, + label = "CH3CH2O + CO <=> C2H5 + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(468,'cm^3/(mol*s)'), n=3.16, Ea=(22512.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 241, + label = "CH3CH2O + O2 <=> CH3CHO + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+10,'cm^3/(mol*s)'), n=0, Ea=(4602.89,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 242, + label = "C3H2 + OH <=> C2H2 + CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 243, + label = "C3H2 + O <=> C2H + H + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 244, + label = "C3H2 + O2 <=> C2H2 + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 245, + label = "C3H2 + O2 <=> H + CO + HCCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(4178.13,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 246, + label = "C3H2 + H <=> C3H3", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.02e+13,'cm^3/(mol*s)'), n=0.27, Ea=(1168.37,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.8e+30,'cm^6/(mol^2*s)'), n=-3.86, Ea=(13870.5,'J/mol'), T0=(1,'K')), alpha=0.782, T3=(207.5,'K'), T1=(2663,'K'), T2=(6095,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 12.0, 'O=C=O': 3.6, '[Ar]': 0.7, '[C-]#[O+]': 1.75, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 247, + label = "C3H3 + OH <=> HCO + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 248, + label = "C3H3 + OH <=> C3H2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 249, + label = "C3H3 + H <=> C3H2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 250, + label = "C3H3 + O <=> C2H2 + CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 251, + label = "C3H3 + O <=> CH2O + C2H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 252, + label = "C3H3 + O2 <=> CH2CO + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.01e+10,'cm^3/(mol*s)'), n=0, Ea=(12000.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 253, + label = "C3H3 + O2 <=> CH3CO + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.01e+10,'cm^3/(mol*s)'), n=0, Ea=(11997.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 254, + label = "C3H3 + O2 <=> C2H3 + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.01e+10,'cm^3/(mol*s)'), n=0, Ea=(11997.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 255, + label = "C2H2 + HCCO <=> C3H3 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(12471.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 256, + label = "C2H2 + CH2 <=> C3H3 + H", + degeneracy = 1.0, + duplicate = True, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(27520.9,'J/mol'), T0=(1,'K')), Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified + +Originally from reaction library: Unclassified +""", +) + +entry( + index = 257, + label = "C3H3 + H <=> C3H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.75e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 258, + label = "C2H2 + CH2 <=> C3H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(27691.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 259, + label = "C3H4 + H <=> C3H3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+06,'cm^3/(mol*s)'), n=2, Ea=(22979.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 260, + label = "C3H4 + H <=> C2H2 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(16708.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 261, + label = "C2H3 + CH2 <=> C3H4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 262, + label = "C2H4 + CH <=> C3H4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.32e+14,'cm^3/(mol*s)'), n=0, Ea=(-1440.07,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 263, + label = "C3H4 + O <=> C2H4 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.8e+12,'cm^3/(mol*s)'), n=0, Ea=(6651.58,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 264, + label = "C3H4 + O <=> HCCO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.3e+12,'cm^3/(mol*s)'), n=0, Ea=(8314.47,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 265, + label = "C3H4 + O <=> C3H3 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+10,'cm^3/(mol*s)'), n=0.7, Ea=(31595,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 266, + label = "C3H4 + OH <=> C3H3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.1e+06,'cm^3/(mol*s)'), n=2, Ea=(1247.17,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 267, + label = "C3H4 + OH <=> CH2CO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.3e+11,'cm^3/(mol*s)'), n=0, Ea=(-3325.79,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 268, + label = "C3H4 + OH <=> CH2O + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.3e+11,'cm^3/(mol*s)'), n=0, Ea=(-3325.79,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 269, + label = "C3H4 + HO2 <=> C3H3 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9600,'cm^3/(mol*s)'), n=2.6, Ea=(56538.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 270, + label = "C3H4 + O2 <=> C3H3 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(256950,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 271, + label = "C3H4 + CH3 <=> C3H3 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2,'cm^3/(mol*s)'), n=3.5, Ea=(32010.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 272, + label = "C3H4 + C2H <=> C3H3 + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 273, + label = "C3H4 + C2H3 <=> C3H3 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2,'cm^3/(mol*s)'), n=3.5, Ea=(19539,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 274, + label = "C3H4 + C2H5 <=> C3H3 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2,'cm^3/(mol*s)'), n=3.5, Ea=(27437.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 275, + label = "C3H4 + H <=> C3H5", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3e+24,'cm^6/(mol^2*s)'), n=-2, Ea=(0,'J/mol'), T0=(1,'K')), alpha=0.8, T3=(1e+15,'K'), T1=(1e+30,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 276, + label = "C3H5 + H <=> C3H4 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 277, + label = "C3H5 + H <=> C2H3 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.686e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 278, + label = "C3H5 + OH <=> C3H4 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.02e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 279, + label = "C3H5 + OH <=> C2H4 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 280, + label = "C3H5 + O <=> CH2CO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 281, + label = "C3H5 + HO2 <=> C3H6 + O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.66e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 282, + label = "C3H5 + HO2 <=> C2H3 + CH2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.6e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 283, + label = "C3H5 + HO2 <=> C2H4 + HCO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 284, + label = "C3H5 + O2 <=> C3H4 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(94785,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 285, + label = "C3H5 + O2 <=> CH3 + CH2O + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.577e+12,'cm^3/(mol*s)'), n=0, Ea=(78571.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 286, + label = "C3H5 + CH3 <=> C3H4 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+12,'cm^3/(mol*s)'), n=-0.32, Ea=(-417.386,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 287, + label = "C3H5 + C2H3 <=> C3H4 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.41e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 288, + label = "C3H5 + C2H5 <=> C3H4 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(-417.386,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 289, + label = "C3H5 <=> C2H2 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.163e+10,'s^-1'), n=-8.31, Ea=(188475,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 290, + label = "C3H5 + H <=> C3H6", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.33e+60,'cm^6/(mol^2*s)'), n=-12, Ea=(24968.4,'J/mol'), T0=(1,'K')), alpha=0.02, T3=(1097,'K'), T1=(1097,'K'), T2=(6860,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 291, + label = "CH3 + C2H3 <=> C3H6", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(4.27e+58,'cm^6/(mol^2*s)'), n=-11.94, Ea=(40882.3,'J/mol'), T0=(1,'K')), alpha=0.175, T3=(1341,'K'), T1=(60000,'K'), T2=(10140,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 292, + label = "C2H4 + CH2(S) <=> C3H6", + degeneracy = 1.0, + duplicate = True, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(9.64e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.2e+12,'cm^3/(mol*s)'), n=0, Ea=(21617.6,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified + +Originally from reaction library: Unclassified +""", +) + +entry( + index = 293, + label = "C3H6 <=> C2H2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+12,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 294, + label = "C3H6 <=> C3H4 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'s^-1'), n=0, Ea=(332579,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 295, + label = "C3H6 + H <=> C3H5 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(170000,'cm^3/(mol*s)'), n=2.5, Ea=(10426.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 296, + label = "C3H6 + H <=> C2H4 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.227e+12,'cm^3/(mol*s)'), n=0, Ea=(5445.98,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 297, + label = "C3H6 + O <=> C2H4 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+07,'cm^3/(mol*s)'), n=1.65, Ea=(-4099.03,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 298, + label = "C3H6 + O <=> C2H5 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+07,'cm^3/(mol*s)'), n=1.65, Ea=(-4099.03,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 299, + label = "C3H6 + O <=> C3H5 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+11,'cm^3/(mol*s)'), n=0.7, Ea=(24604.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 300, + label = "C3H6 + O <=> CH2CO + CH3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+08,'cm^3/(mol*s)'), n=1.65, Ea=(1368.56,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 301, + label = "C3H6 + O <=> CH3 + CH3 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.96e+07,'cm^3/(mol*s)'), n=1.57, Ea=(-2624.88,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 302, + label = "C3H6 + OH <=> C3H5 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.1e+06,'cm^3/(mol*s)'), n=2, Ea=(-1255.49,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 303, + label = "C3H6 + OH <=> C2H5 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.9e+12,'cm^3/(mol*s)'), n=0, Ea=(-3760.64,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 304, + label = "C3H6 + HO2 <=> C3H5 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9640,'cm^3/(mol*s)'), n=2.6, Ea=(58226.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 305, + label = "C3H5 + CH2O <=> C3H6 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.2e+07,'cm^3/(mol*s)'), n=1.8, Ea=(76110.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 306, + label = "C3H6 + CH2(S) <=> C3H5 + CH3", + degeneracy = 1.0, + duplicate = True, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(5.239e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.227e+11,'cm^3/(mol*s)'), n=0, Ea=(25907.9,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified + +Originally from reaction library: Unclassified +""", +) + +entry( + index = 307, + label = "C3H6 + CH3 <=> C3H5 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.216,'cm^3/(mol*s)'), n=3.5, Ea=(23735.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 308, + label = "C3H6 + C2H2 <=> C3H5 + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.035e+13,'cm^3/(mol*s)'), n=0, Ea=(195889,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 309, + label = "C3H6 + C2H3 <=> C3H5 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.02e+12,'cm^3/(mol*s)'), n=0, Ea=(60778.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 310, + label = "C3H6 + C2H5 <=> C3H5 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.228,'cm^3/(mol*s)'), n=3.5, Ea=(27770.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 311, + label = "C3H5 + C2H5 <=> C2H4 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.6e+12,'cm^3/(mol*s)'), n=0, Ea=(-548.755,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 312, + label = "C3H5 + C3H4 <=> C3H3 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(32010.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 313, + label = "C3H5 + C3H5 <=> C3H4 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.431e+10,'cm^3/(mol*s)'), n=0, Ea=(-1097.51,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 314, + label = "C3H6 + C2H <=> C3H4 + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 315, + label = "C3H6 + H <=> nC3H7", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.33e+13,'cm^3/(mol*s)'), n=0, Ea=(13644,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.26e+38,'cm^6/(mol^2*s)'), n=-6.66, Ea=(29291.9,'J/mol'), T0=(1,'K')), alpha=1, T3=(1000,'K'), T1=(1310,'K'), T2=(48100,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 316, + label = "nC3H7 + O2 <=> C3H6 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 317, + label = "nC3H7 <=> C2H4 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'s^-1'), n=0, Ea=(125762,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 318, + label = "C3H6 + H <=> iC3H7", + degeneracy = 1.0, + duplicate = True, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.33e+13,'cm^3/(mol*s)'), n=0, Ea=(6526.86,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(8.7e+42,'cm^6/(mol^2*s)'), n=-7.5, Ea=(19755.2,'J/mol'), T0=(1,'K')), alpha=1, T3=(1000,'K'), T1=(645.4,'K'), T2=(6844,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 319, + label = "iC3H7 + H <=> C3H6 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.613e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 320, + label = "iC3H7 + H <=> C2H5 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.409e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 321, + label = "iC3H7 + OH <=> C3H6 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.41e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 322, + label = "iC3H7 + HO2 <=> CH3CHO + CH3 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.41e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 323, + label = "iC3H7 + O <=> CH3CHO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.818e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 324, + label = "iC3H7 + O2 <=> C3H6 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.265e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 325, + label = "iC3H7 + CH3 <=> C3H6 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+14,'cm^3/(mol*s)'), n=-0.68, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 326, + label = "iC3H7 <=> C2H4 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'s^-1'), n=0, Ea=(144406,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 327, + label = "iC3H7 <=> C3H6 + H", + degeneracy = 1.0, + duplicate = True, + kinetics = Arrhenius(A=(6.31e+13,'s^-1'), n=0, Ea=(154649,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 328, + label = "iC3H7 + iC3H7 <=> C3H8 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.12e+14,'cm^3/(mol*s)'), n=-0.7, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 329, + label = "C3H8 <=> iC3H7 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.3e+15,'s^-1'), n=0, Ea=(397016,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 330, + label = "C3H8 <=> nC3H7 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+16,'s^-1'), n=0, Ea=(408024,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 331, + label = "C3H8 <=> CH3 + C2H5", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.1e+17,'s^-1'), n=0, Ea=(353116,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(7.83e+18,'cm^3/(mol*s)'), n=0, Ea=(271883,'J/mol'), T0=(1,'K')), alpha=0.5, T3=(1e+15,'K'), T1=(1e+30,'K'), efficiencies={'O': 12.0, 'O=C=O': 3.8, '[Ar]': 0.75, '[C-]#[O+]': 1.9, '[H][H]': 2.5, '[He]': 0.75}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 332, + label = "C3H8 + H <=> nC3H7 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.33e+06,'cm^3/(mol*s)'), n=2.54, Ea=(28269.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 333, + label = "C3H8 + H <=> iC3H7 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+06,'cm^3/(mol*s)'), n=2.4, Ea=(18707.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 334, + label = "C3H8 + O <=> nC3H7 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(192700,'cm^3/(mol*s)'), n=2.68, Ea=(15548.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 335, + label = "C3H8 + O <=> iC3H7 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(47600,'cm^3/(mol*s)'), n=2.71, Ea=(8817.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 336, + label = "C3H8 + OH <=> nC3H7 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1400,'cm^3/(mol*s)'), n=2.66, Ea=(2200.01,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 337, + label = "C3H8 + OH <=> iC3H7 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(27000,'cm^3/(mol*s)'), n=2.39, Ea=(1700.31,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 338, + label = "C3H8 + HO2 <=> nC3H7 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(47600,'cm^3/(mol*s)'), n=2.55, Ea=(69010.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 339, + label = "C3H8 + HO2 <=> iC3H7 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9640,'cm^3/(mol*s)'), n=2.6, Ea=(58201.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 340, + label = "C3H8 + O2 <=> nC3H7 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+13,'cm^3/(mol*s)'), n=0, Ea=(213125,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 341, + label = "C3H8 + O2 <=> iC3H7 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+13,'cm^3/(mol*s)'), n=0, Ea=(199132,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 342, + label = "C3H8 + CH3 <=> nC3H7 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.9033,'cm^3/(mol*s)'), n=3.65, Ea=(29932.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 343, + label = "C3H8 + CH3 <=> iC3H7 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.505,'cm^3/(mol*s)'), n=3.46, Ea=(22931.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 344, + label = "C3H8 + iC3H7 <=> nC3H7 + C3H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0084,'cm^3/(mol*s)'), n=4.2, Ea=(36301.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 345, + label = "C4H2 + O <=> C3H2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.891e+13,'cm^3/(mol*s)'), n=0, Ea=(7186.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 346, + label = "C4H2 + OH <=> C3H3 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.58e+19,'cm^3/(mol*s)'), n=-2.44, Ea=(12676.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 347, + label = "C2H2 + C2H <=> C4H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.03e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 348, + label = "C2H2 + C2H2 <=> C4H2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.51e+13,'cm^3/(mol*s)'), n=0, Ea=(177514,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 349, + label = "iC4H3 <=> C4H2 + H", + degeneracy = 1.0, + duplicate = True, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.12e+14,'s^-1'), n=0, Ea=(229797,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2e+15,'cm^3/(mol*s)'), n=0, Ea=(200550,'J/mol'), T0=(1,'K')), alpha=1, T3=(1,'K'), T1=(1e+08,'K'), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.2, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 350, + label = "iC4H3 + H <=> C4H2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 351, + label = "C3H2 + CH2 <=> iC4H3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(3342.42,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 352, + label = "C3H3 + CH <=> iC4H3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 353, + label = "C2H2 + C2H2 <=> iC4H3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(242013,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 354, + label = "iC4H3 + O <=> CH2CO + C2H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 355, + label = "iC4H3 + OH <=> C4H2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 356, + label = "iC4H3 + O2 <=> CH2CO + HCCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 357, + label = "iC4H3 + CH2 <=> C3H4 + C2H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 358, + label = "iC4H3 + C2H3 <=> C3H3 + C3H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 359, + label = "C4H4 <=> iC4H3 + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(8.63e+12,'cm^3/(mol*s)'), n=0, Ea=(247015,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 360, + label = "C4H4 + H <=> iC4H3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+07,'cm^3/(mol*s)'), n=2, Ea=(20890.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 361, + label = "C4H4 + OH <=> iC4H3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+07,'cm^3/(mol*s)'), n=2, Ea=(8356.04,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 362, + label = "C4H4 + O <=> C3H4 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(7649.31,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 363, + label = "C4H4 + C2H3 => iC4H3 + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(5e+11,'cm^3/(mol*s)'), n=0, Ea=(67762.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 364, + label = "C4H4 + C2H => iC4H3 + C2H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 365, + label = "C2H3 + C2H2 => C4H4 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(104453,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 366, + label = "C3H3 + CH2 <=> C4H4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 367, + label = "C4H4 <=> C2H2 + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.15e+15,'s^-1'), n=0, Ea=(361317,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 368, + label = "C2H4 + C2H <=> C4H4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 369, + label = "C4H4 + O <=> C3H3 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+08,'cm^3/(mol*s)'), n=1.44, Ea=(2298.95,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 370, + label = "C4H4 + H <=> C4H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+51,'cm^3/(mol*s)'), n=-11.92, Ea=(68939.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 371, + label = "C2H3 + C2H2 <=> C4H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.3e+38,'cm^3/(mol*s)'), n=-8.76, Ea=(50137.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 372, + label = "C4H5 + H <=> C4H4 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 373, + label = "C4H5 + H <=> iC4H5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 374, + label = "C4H5 + OH <=> C4H4 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 375, + label = "C4H5 + HCO <=> C4H6 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 376, + label = "C4H5 + HO2 <=> C2H3 + CH2CO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.6e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 377, + label = "C4H5 + HO2 <=> C4H6 + O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 378, + label = "C4H5 + H2O2 <=> C4H6 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.21e+10,'cm^3/(mol*s)'), n=0, Ea=(-2490.18,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 379, + label = "C4H5 + O2 <=> CH2CO + CH2HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.16e+10,'cm^3/(mol*s)'), n=0, Ea=(10445.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 380, + label = "iC4H5 <=> C4H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+13,'s^-1'), n=0, Ea=(283274,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 381, + label = "iC4H5 + H <=> C4H4 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 382, + label = "iC4H5 + H <=> C3H3 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(8356.04,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 383, + label = "iC4H5 + OH <=> C4H4 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 384, + label = "iC4H5 + HCO <=> C4H6 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 385, + label = "iC4H5 + HO2 <=> C2H3 + CH2CO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.6e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 386, + label = "iC4H5 + H2O2 <=> C4H6 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.21e+10,'cm^3/(mol*s)'), n=0, Ea=(-2490.18,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 387, + label = "iC4H5 + O2 <=> CH2CO + CH2HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.16e+10,'cm^3/(mol*s)'), n=0, Ea=(10445.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 388, + label = "C4H4 + H <=> iC4H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.9e+51,'cm^3/(mol*s)'), n=-11.92, Ea=(73953.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 389, + label = "C2H3 + C2H2 <=> iC4H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+46,'cm^3/(mol*s)'), n=-10.98, Ea=(77712.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 390, + label = "C2H3 + C2H3 <=> iC4H5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+22,'cm^3/(mol*s)'), n=-2.44, Ea=(57048.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 391, + label = "C4H6 <=> C3H3 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+15,'s^-1'), n=0, Ea=(311793,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 392, + label = "C4H6 <=> iC4H5 + H", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.0263,0.1184,1],'atm'), arrhenius=[Arrhenius(A=(8.2e+51,'s^-1'), n=-10.92, Ea=(494728,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.3e+45,'s^-1'), n=-8.95, Ea=(484387,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.7e+36,'s^-1'), n=-6.27, Ea=(469425,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 393, + label = "C4H6 <=> C4H5 + H", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.0263,0.1184,1],'atm'), arrhenius=[Arrhenius(A=(3.5e+61,'s^-1'), n=-13.87, Ea=(541807,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.5e+54,'s^-1'), n=-11.78, Ea=(532594,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.3e+44,'s^-1'), n=-8.62, Ea=(516450,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 394, + label = "C4H6 <=> C4H4 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+15,'s^-1'), n=0, Ea=(395668,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 395, + label = "C2H3 + C2H3 <=> C4H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 396, + label = "C4H6 + H <=> C4H5 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.33e+06,'cm^3/(mol*s)'), n=2.53, Ea=(51140.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 397, + label = "C4H6 + H <=> iC4H5 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(665000,'cm^3/(mol*s)'), n=2.53, Ea=(38605.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 398, + label = "C4H6 + H <=> C3H4 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(29247,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 399, + label = "C2H4 + C2H3 <=> C4H6 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+11,'cm^3/(mol*s)'), n=0, Ea=(30597.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 400, + label = "C4H6 + O <=> C4H5 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.5e+06,'cm^3/(mol*s)'), n=1.9, Ea=(15626.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 401, + label = "C4H6 + O <=> iC4H5 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.5e+06,'cm^3/(mol*s)'), n=1.9, Ea=(15626.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 402, + label = "C4H6 + O <=> C2H4 + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 403, + label = "C4H6 + O <=> C3H4 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 404, + label = "C4H6 + OH <=> C4H5 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.2e+06,'cm^3/(mol*s)'), n=2, Ea=(14384,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 405, + label = "C4H6 + OH <=> iC4H5 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.1e+06,'cm^3/(mol*s)'), n=2, Ea=(1679.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 406, + label = "C4H6 + OH <=> C3H5 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 407, + label = "C4H6 + OH <=> CH2CO + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 408, + label = "C4H6 + O2 <=> iC4H5 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(241914,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 409, + label = "C4H6 + CH3 <=> C4H5 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+14,'cm^3/(mol*s)'), n=0, Ea=(95261.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 410, + label = "C4H6 + CH3 <=> iC4H5 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+13,'cm^3/(mol*s)'), n=0, Ea=(64936,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 411, + label = "C4H6 + C2H3 <=> C4H5 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(95261.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 412, + label = "C4H6 + C2H3 <=> iC4H5 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+13,'cm^3/(mol*s)'), n=0, Ea=(82726.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 413, + label = "nC4H7 <=> C3H4 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'s^-1'), n=0, Ea=(154591,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 414, + label = "nC4H7 <=> C2H4 + C2H3", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.78e+14,'s^-1'), n=0, Ea=(154707,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(4.155e+37,'cm^3/(mol*s)'), n=-6.26, Ea=(157701,'J/mol'), T0=(1,'K')), alpha=1, T3=(50,'K'), T1=(1670,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 415, + label = "nC4H7 <=> C4H6 + H", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.17e+13,'s^-1'), n=0, Ea=(142730,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.439e+28,'cm^3/(mol*s)'), n=-3.68, Ea=(114783,'J/mol'), T0=(1,'K')), alpha=0.81, T3=(50,'K'), T1=(1150,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 416, + label = "nC4H7 + H <=> C4H6 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 417, + label = "nC4H7 + O2 <=> C4H6 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 418, + label = "nC4H7 + CH3 <=> C4H6 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 419, + label = "nC4H7 + C2H3 <=> C4H6 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 420, + label = "nC4H7 + C2H5 <=> C4H6 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 421, + label = "nC4H7 + C3H5 <=> C4H6 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 422, + label = "nC4H7 + C2H5 <=> C4H8 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 423, + label = "nC4H7 + nC4H7 <=> C4H6 + C4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 424, + label = "nC4H7 + H <=> C4H8", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.01e+48,'cm^6/(mol^2*s)'), n=-9.32, Ea=(24373.9,'J/mol'), T0=(1,'K')), alpha=0.498, T3=(1314,'K'), T1=(1314,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 425, + label = "C4H8 <=> C3H5 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+16,'s^-1'), n=0, Ea=(304542,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 426, + label = "C2H5 + C2H3 <=> C4H8", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.55e+56,'cm^6/(mol^2*s)'), n=-11.79, Ea=(37538.2,'J/mol'), T0=(1,'K')), alpha=0.198, T3=(2277.9,'K'), T1=(60000,'K'), T2=(5723.2,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 427, + label = "C4H8 + H <=> nC4H7 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(16296.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 428, + label = "C4H8 + H <=> C3H6 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 429, + label = "C4H8 + H <=> C2H4 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 430, + label = "C4H8 + H <=> C2H4 + C2H3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(660000,'cm^3/(mol*s)'), n=2.54, Ea=(28256.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 431, + label = "C4H8 + O <=> nC4H7 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=0, Ea=(18759.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 432, + label = "C4H8 + O <=> C2H4 + CH3CHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.25e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 433, + label = "C4H8 + O <=> C2H5 + CH3 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 434, + label = "C4H8 + O <=> C3H6 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 435, + label = "C4H8 + O <=> nC3H7 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+06,'cm^3/(mol*s)'), n=2.34, Ea=(-4157.24,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 436, + label = "C4H8 + OH <=> nC4H7 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(4988.68,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 437, + label = "C4H8 + OH <=> C2H5 + CH3CHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 438, + label = "C4H8 + OH => C2H6 + CH3 + CO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 439, + label = "C4H8 + OH <=> nC3H7 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 440, + label = "C4H8 + O2 <=> nC4H7 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(164582,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 441, + label = "C4H8 + HO2 <=> nC4H7 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(71404.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 442, + label = "C4H8 + CH3 <=> nC4H7 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(30597.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 443, + label = "C4H8 + C2H5 <=> nC4H7 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(33471.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 444, + label = "C4H8 + C3H5 <=> nC4H7 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+10,'cm^3/(mol*s)'), n=0, Ea=(54401.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 445, + label = "C4H8 <=> C4H6 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'s^-1'), n=0, Ea=(273583,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 446, + label = "C3H6 + CH3 <=> iC4H9", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(9.6e+10,'cm^3/(mol*s)'), n=0, Ea=(33440,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.3e+28,'cm^6/(mol^2*s)'), n=-4.27, Ea=(10157.8,'J/mol'), T0=(1,'K')), alpha=0.565, T3=(60000,'K'), T1=(534.2,'K'), T2=(3007.2,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 447, + label = "iC4H9 + H <=> iC3H7 + CH3", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10],'atm'), arrhenius=[Arrhenius(A=(1.1e+32,'cm^3/(mol*s)'), n=-5.04, Ea=(70025.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.9e+35,'cm^3/(mol*s)'), n=-5.83, Ea=(93882.9,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.35e+40,'cm^3/(mol*s)'), n=-7.02, Ea=(129522,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 448, + label = "iC4H9 + CH3 <=> iC4H8 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+12,'cm^3/(mol*s)'), n=-0.32, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 449, + label = "iC4H9 + O2 <=> iC4H8 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 450, + label = "iC4H9 + OH <=> iC4H8 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 451, + label = "iC4H9 + H <=> iC4H8 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 452, + label = "iC4H8 <=> C3H5 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(389018,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 453, + label = "iC4H8 + H <=> iC4H9", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.33e+13,'cm^3/(mol*s)'), n=0, Ea=(13623.6,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.26e+38,'cm^6/(mol^2*s)'), n=-6.66, Ea=(29246.9,'J/mol'), T0=(1,'K')), alpha=1, T3=(1000,'K'), T1=(1310,'K'), T2=(48097,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 454, + label = "iC4H8 + H <=> iC4H7 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2.54, Ea=(28244.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 455, + label = "iC4H8 + H <=> C3H6 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+21,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 456, + label = "iC4H8 + O <=> CH3 + CH3 + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+08,'cm^3/(mol*s)'), n=1.65, Ea=(1366.23,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 457, + label = "iC4H8 + O <=> iC3H7 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+07,'cm^3/(mol*s)'), n=1.65, Ea=(-4061.12,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 458, + label = "iC4H8 + O <=> iC4H7 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(290000,'cm^3/(mol*s)'), n=2.5, Ea=(15208.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 459, + label = "iC4H8 + OH <=> iC4H7 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+08,'cm^3/(mol*s)'), n=1.53, Ea=(3238.07,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 460, + label = "iC4H8 + HO2 <=> iC4H7 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(20000,'cm^3/(mol*s)'), n=2.55, Ea=(64760.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 461, + label = "iC4H8 + O2 <=> iC4H7 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.7e+13,'cm^3/(mol*s)'), n=0, Ea=(212667,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 462, + label = "iC4H8 + CH3 <=> iC4H7 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.91,'cm^3/(mol*s)'), n=3.65, Ea=(29873.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 463, + label = "iC4H7 <=> C3H4 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'s^-1'), n=0, Ea=(213197,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 464, + label = "iC4H7 <=> C4H6 + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(1.2e+14,'cm^3/(mol*s)'), n=0, Ea=(206199,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 465, + label = "iC4H7 <=> C2H4 + C2H3", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(154649,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 466, + label = "iC4H7 + O2 => C3H4 + CH2O + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(7.29e+31,'cm^3/(mol*s)'), n=-5.71, Ea=(89620.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 467, + label = "iC4H7 + H <=> C4H6 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 468, + label = "iC4H7 + C2H3 <=> C4H6 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 469, + label = "iC4H7 + C2H5 <=> C4H6 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 470, + label = "iC4H7 + CH3 <=> C4H6 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 471, + label = "iC4H7 + C3H5 <=> C4H6 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 472, + label = "pC4H9 <=> C2H4 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+13,'s^-1'), n=0, Ea=(120327,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 473, + label = "pC4H9 <=> C4H8 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+13,'s^-1'), n=0, Ea=(161276,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 474, + label = "pC4H9 + O2 <=> C4H8 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(8356.04,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 475, + label = "sC4H9 <=> C4H8 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'s^-1'), n=0, Ea=(166289,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 476, + label = "sC4H9 <=> C3H6 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+14,'s^-1'), n=0, Ea=(138710,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 477, + label = "sC4H9 + O2 <=> C4H8 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+12,'cm^3/(mol*s)'), n=0, Ea=(18383.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 478, + label = "tC4H9 <=> iC4H8 + H", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(8.3e+13,'s^-1'), n=0, Ea=(159398,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.9e+41,'cm^3/(mol*s)'), n=-7.36, Ea=(153052,'J/mol'), T0=(1,'K')), alpha=0.293, T3=(649,'K'), T1=(60000,'K'), T2=(3425.9,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 479, + label = "tC4H9 + H <=> iC3H7 + CH3", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10],'atm'), arrhenius=[Arrhenius(A=(2.8e+34,'cm^3/(mol*s)'), n=-5.69, Ea=(85651.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.6e+36,'cm^3/(mol*s)'), n=-6.12, Ea=(107127,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.6e+36,'cm^3/(mol*s)'), n=-6.12, Ea=(107127,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 480, + label = "tC4H9 + CH3 <=> iC4H8 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.8e+15,'cm^3/(mol*s)'), n=-1, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 481, + label = "tC4H9 + O2 <=> iC4H8 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.837,'cm^3/(mol*s)'), n=3.6, Ea=(49970,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 482, + label = "tC4H9 + OH <=> iC4H8 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 483, + label = "tC4H9 + O <=> iC4H8 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 484, + label = "tC4H9 + H <=> iC4H8 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.42e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 485, + label = "nC3H7 + CH3 <=> N-C4H10", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.93e+14,'cm^3/(mol*s)'), n=-0.32, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.68e+61,'cm^6/(mol^2*s)'), n=-13.24, Ea=(25068.8,'J/mol'), T0=(1,'K')), alpha=1, T3=(1000,'K'), T1=(1433.9,'K'), T2=(5328.8,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 486, + label = "C2H5 + C2H5 <=> N-C4H10", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.88e+14,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.61e+61,'cm^6/(mol^2*s)'), n=-13.42, Ea=(25068.8,'J/mol'), T0=(1,'K')), alpha=1, T3=(1000,'K'), T1=(1433.9,'K'), T2=(5328.8,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 487, + label = "N-C4H10 + H <=> pC4H9 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.8e+13,'cm^3/(mol*s)'), n=0, Ea=(50873.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 488, + label = "N-C4H10 + H <=> sC4H9 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.108e+13,'cm^3/(mol*s)'), n=0, Ea=(32947.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 489, + label = "N-C4H10 + O <=> pC4H9 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e+14,'cm^3/(mol*s)'), n=0, Ea=(32800.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 490, + label = "N-C4H10 + O <=> sC4H9 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.62e+13,'cm^3/(mol*s)'), n=0, Ea=(21726.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 491, + label = "N-C4H10 + OH <=> pC4H9 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.71e+09,'cm^3/(mol*s)'), n=1.05, Ea=(7566.17,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 492, + label = "N-C4H10 + OH <=> sC4H9 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.57e+09,'cm^3/(mol*s)'), n=1.25, Ea=(2926.69,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 493, + label = "N-C4H10 + O2 <=> pC4H9 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(218671,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 494, + label = "N-C4H10 + O2 <=> sC4H9 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(208070,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 495, + label = "N-C4H10 + CH3 <=> pC4H9 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.29e+12,'cm^3/(mol*s)'), n=0, Ea=(48465.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 496, + label = "N-C4H10 + CH3 <=> sC4H9 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.94e+11,'cm^3/(mol*s)'), n=0, Ea=(39693.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 497, + label = "nC4H9OH <=> CH3 + CH2CH2CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(352617,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 498, + label = "nC4H9OH <=> C2H5 + CH2CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(342141,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 499, + label = "nC4H9OH <=> nC3H7 + CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(342141,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 500, + label = "nC4H9OH <=> C4H8 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.9e+13,'s^-1'), n=0, Ea=(291747,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 501, + label = "nC4H9O-2 + H <=> nC4H9OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 502, + label = "CH3CH2CH2CHOH + H <=> nC4H9OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 503, + label = "nC4H9OH + O <=> nC4H9O-2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(428900,'cm^3/(mol*s)'), n=2.65, Ea=(10794.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 504, + label = "nC4H9OH + O <=> CH3CH2CH2CHOH + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(428900,'cm^3/(mol*s)'), n=2.79, Ea=(9123.55,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 505, + label = "nC4H9OH + H <=> nC4H9O-2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.14e+06,'cm^3/(mol*s)'), n=2.25, Ea=(22729,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 506, + label = "nC4H9OH + H <=> CH3CH2CH2CHOH + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(925000,'cm^3/(mol*s)'), n=2.28, Ea=(15709.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 507, + label = "nC4H9OH + OH <=> nC4H9O-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.9e+06,'cm^3/(mol*s)'), n=1.9, Ea=(1086.31,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 508, + label = "nC4H9OH + OH <=> CH3CH2CH2CHOH + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.9e+06,'cm^3/(mol*s)'), n=1.9, Ea=(668.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 509, + label = "nC4H9OH + CH3 <=> nC4H9O-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.29,'cm^3/(mol*s)'), n=3.37, Ea=(32547.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 510, + label = "nC4H9OH + CH3 <=> CH3CH2CH2CHOH + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(15.3,'cm^3/(mol*s)'), n=3.31, Ea=(29038,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 511, + label = "nC4H9OH + O2 <=> nC4H9O-2 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.588e+14,'cm^3/(mol*s)'), n=0, Ea=(199255,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 512, + label = "nC4H9OH + O2 <=> CH3CH2CH2CHOH + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.588e+14,'cm^3/(mol*s)'), n=0, Ea=(199255,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 513, + label = "C4H8 + OH <=> nC4H9O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(34263.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 514, + label = "C3H6 + CH2OH <=> nC4H9O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(34263.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 515, + label = "H + nC4H7OH <=> nC4H9O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(12114.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 516, + label = "CH3CH2CH2CHOH <=> Ethenol + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.516e+12,'s^-1'), n=0.602, Ea=(121667,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 517, + label = "CH3CH2CH2CHOH <=> nC4H9O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.8e+10,'s^-1'), n=0.67, Ea=(152920,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 518, + label = "CH3CH2CH2CHOH <=> nC4H7OH + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.065e+11,'s^-1'), n=0.4, Ea=(148031,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 519, + label = "Ethenol + OH <=> CH2HCO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.46e+11,'cm^3/(mol*s)'), n=0.3, Ea=(6826.18,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 520, + label = "Ethenol + H <=> CH2HCO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+07,'cm^3/(mol*s)'), n=1.6, Ea=(12696.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 521, + label = "Ethenol + O <=> CH2HCO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.81e+13,'cm^3/(mol*s)'), n=0, Ea=(21725.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 522, + label = "Ethenol + HO2 <=> CH2HCO + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.6e+12,'cm^3/(mol*s)'), n=0, Ea=(73957.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 523, + label = "Ethenol + CH3 <=> CH2HCO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+11,'cm^3/(mol*s)'), n=0, Ea=(39693.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 524, + label = "Ethenol <=> CH3CHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.42e+46,'s^-1'), n=-10.56, Ea=(281689,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 525, + label = "C2H4 + CH2OH <=> CH2CH2CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(34263.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 526, + label = "nC3H7CHO <=> C2H5 + CH2HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+16,'s^-1'), n=0, Ea=(342606,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 527, + label = "nC3H7CHO <=> nC3H7 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+16,'s^-1'), n=0, Ea=(355144,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 528, + label = "nC3H7CHO <=> C4H7O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+15,'s^-1'), n=0, Ea=(355141,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 529, + label = "nC3H7CHO <=> C4H7O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+15,'s^-1'), n=0, Ea=(396881,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 530, + label = "nC3H7CHO + H <=> C4H7O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+14,'cm^3/(mol*s)'), n=0, Ea=(29246.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 531, + label = "nC3H7CHO + H <=> C4H7O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+06,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 532, + label = "nC3H7CHO + O <=> C4H7O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.85e+12,'cm^3/(mol*s)'), n=0, Ea=(7554.06,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 533, + label = "nC3H7CHO + O <=> C4H7O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(47700,'cm^3/(mol*s)'), n=2.71, Ea=(8799.12,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 534, + label = "nC3H7CHO + OH <=> C4H7O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.65e+12,'cm^3/(mol*s)'), n=0, Ea=(-3050.03,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 535, + label = "nC3H7CHO + OH <=> C4H7O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.68e+07,'cm^3/(mol*s)'), n=1.61, Ea=(-146.234,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 536, + label = "nC3H7CHO + HO2 <=> C4H7O + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+12,'cm^3/(mol*s)'), n=0, Ea=(44705.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 537, + label = "nC3H7CHO + HO2 <=> C4H7O + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.6e+12,'cm^3/(mol*s)'), n=0, Ea=(73911.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 538, + label = "nC3H7CHO + CH3 <=> C4H7O + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+12,'cm^3/(mol*s)'), n=0, Ea=(35263.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 539, + label = "nC3H7CHO + CH3 <=> C4H7O + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(27050,'cm^3/(mol*s)'), n=2.26, Ea=(30446,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 540, + label = "nC3H7CHO + O2 <=> C4H7O + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0.5, Ea=(176317,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 541, + label = "nC3H7CHO + O2 <=> C4H7O + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(199255,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 542, + label = "C4H7O <=> nC3H7 + CO", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(8.64e+15,'cm^3/(mol*s)'), n=0, Ea=(60165,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 543, + label = "C4H7O <=> CH2CO + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.745e+09,'s^-1'), n=1.41, Ea=(149702,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 544, + label = "C4H7O <=> C4H6O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.658e+10,'s^-1'), n=0.79, Ea=(177779,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 545, + label = "C4H7O <=> C3H6 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.249e+12,'s^-1'), n=-0.18, Ea=(91500.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 546, + label = "C4H7O <=> C2H4 + CH2HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.4e+11,'s^-1'), n=0, Ea=(91793.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 547, + label = "C4H7O <=> C4H6O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.431e+15,'s^-1'), n=-0.6, Ea=(168796,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 548, + label = "C4H6O + OH <=> nC3H7 + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.73e+12,'cm^3/(mol*s)'), n=0, Ea=(-4219.91,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 549, + label = "C4H6O + H <=> nC3H7 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.4e+12,'cm^3/(mol*s)'), n=0, Ea=(6095.89,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 550, + label = "C4H6O + O <=> C3H6 + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+12,'cm^3/(mol*s)'), n=0, Ea=(-1825.84,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 551, + label = "nC4H7OH <=> C3H5 + CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.644e+19,'s^-1'), n=-1.132, Ea=(311646,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 552, + label = "nC4H7OH <=> nC4H7 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.367e+20,'s^-1'), n=-1.189, Ea=(394106,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 553, + label = "nC4H7OH <=> C2H3 + CH2CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.644e+19,'s^-1'), n=-1.132, Ea=(311793,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 554, + label = "nC4H7OH <=> C2H5 + CH2HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.214e+22,'s^-1'), n=-1.576, Ea=(407409,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 555, + label = "DME <=> CH3 + CH3O", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.33e+19,'s^-1'), n=-0.66, Ea=(352076,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.722e+59,'cm^3/(mol*s)'), n=-11.4, Ea=(390389,'J/mol'), T0=(1,'K')), alpha=1, T3=(1e-30,'K'), T1=(880,'K'), efficiencies={'C': 3.0, 'CC': 4.5, 'COC': 5.0, 'N#N': 1.5, 'O': 9.0, 'O=C=O': 3.0, '[C-]#[O+]': 2.25, '[H][H]': 3.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 556, + label = "DME + CH3 <=> (C2H5O) + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(52298,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 557, + label = "DME + HO2 <=> (C2H5O) + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00317,'cm^3/(mol*s)'), n=4.64, Ea=(44104.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 558, + label = "DME + O <=> (C2H5O) + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.391e+12,'cm^3/(mol*s)'), n=2, Ea=(10979.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 559, + label = "DME + H <=> (C2H5O) + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.721e+06,'cm^3/(mol*s)'), n=2.09, Ea=(14138.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 560, + label = "DME + OH <=> (C2H5O) + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.745e+11,'cm^3/(mol*s)'), n=2.07, Ea=(-2175.89,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 561, + label = "(C2H5O) <=> CH3 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.27e+14,'s^-1'), n=-0.22, Ea=(114008,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 562, + label = "OME1 <=> COCO* + CH3", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.33e+19,'s^-1'), n=-0.66, Ea=(351546,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.72e+59,'cm^3/(mol*s)'), n=-11.4, Ea=(389801,'J/mol'), T0=(1,'K')), alpha=1, T3=(1e-30,'K'), T1=(880,'K'), efficiencies={'C': 3.0, 'CC': 4.5, 'O': 9.0, 'O=C=O': 3.0, '[Ar]': 1.0, '[C-]#[O+]': 2.25, '[H][H]': 3.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 563, + label = "OME1 <=> (C2H5O) + CH3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.24e+25,'s^-1'), n=-2.29, Ea=(356520,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 564, + label = "OME1*-1 <=> (C2H5O) + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.23997e+14,'s^-1'), n=-0.22, Ea=(105289,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 565, + label = "OME1 + H <=> OME1*-1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.3e+12,'cm^3/(mol*s)'), n=0, Ea=(14151.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 566, + label = "OME1 + OH <=> OME1*-1 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.954e+07,'cm^3/(mol*s)'), n=1.89, Ea=(-1527.53,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 567, + label = "OME1 + O <=> OME1*-1 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.689e+07,'cm^3/(mol*s)'), n=2, Ea=(10996.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 568, + label = "OME1 + CH3 <=> OME1*-1 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(10.19,'cm^3/(mol*s)'), n=3.78, Ea=(40477.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 569, + label = "OME1 + HO2 <=> OME1*-1 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=0, Ea=(73911.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 570, + label = "OME1 + CH3O <=> OME1*-1 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.02e+11,'cm^3/(mol*s)'), n=0, Ea=(17021.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 571, + label = "OME1*-2 <=> (C2H4O2) + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(218.6,'s^-1'), n=1.1549, Ea=(56580.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 572, + label = "OME1 + H <=> OME1*-2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.4e+12,'cm^3/(mol*s)'), n=0, Ea=(13244.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 573, + label = "OME1 + OH <=> OME1*-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.93, Ea=(16879.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 574, + label = "OME1 + O <=> OME1*-2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(12693.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 575, + label = "OME1 + CH3 <=> OME1*-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.993e+11,'cm^3/(mol*s)'), n=0, Ea=(40807.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 576, + label = "OME1 + HO2 <=> OME1*-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.6, Ea=(58075.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 577, + label = "OME1 + CH3O <=> OME1*-2 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+11,'cm^3/(mol*s)'), n=0, Ea=(19018.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 578, + label = "(C2H4O2) + H <=> (C2H3O2) + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(665000,'cm^3/(mol*s)'), n=2.54, Ea=(28227.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 579, + label = "(C2H4O2) + OH <=> (C2H3O2) + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.27e+09,'cm^3/(mol*s)'), n=0.97, Ea=(6626.51,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 580, + label = "(C2H4O2) + O <=> (C2H3O2) + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.373e+13,'cm^3/(mol*s)'), n=0, Ea=(23945.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 581, + label = "(C2H4O2) + CH3 <=> (C2H3O2) + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.452,'cm^3/(mol*s)'), n=3.65, Ea=(29890.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 582, + label = "(C2H4O2) + H <=> (C2H3O2) + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 583, + label = "(C2H4O2) + OH <=> (C2H3O2) + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+07,'cm^3/(mol*s)'), n=1.8, Ea=(3902.37,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 584, + label = "(C2H4O2) + CH3 <=> (C2H3O2) + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.755,'cm^3/(mol*s)'), n=3.46, Ea=(22900.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 585, + label = "(C2H4O2) <=> (CHO2) + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+29,'s^-1'), n=-15.95, Ea=(478082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 586, + label = "CH2O + HCO <=> (C2H3O2)", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+11,'cm^3/(mol*s)'), n=0, Ea=(49719.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 587, + label = "(C2H3O2) <=> CH3 + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.55e+12,'s^-1'), n=0.515, Ea=(126155,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 588, + label = "(C2H3O2) <=> CH3O + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.37e+12,'s^-1'), n=0.479, Ea=(197818,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 589, + label = "(CHO2) <=> H + CO2", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(2.443e+15,'cm^3/(mol*s)'), n=-0.5, Ea=(110749,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 590, + label = "COCO* <=> CH3O + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 591, + label = "COCO* <=> (C2H4O2) + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 592, + label = "OME2 <=> (C2H5O) + COCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 593, + label = "OME2 <=> OME1*-1 + CH3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.24e+25,'s^-1'), n=-2.29, Ea=(356520,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 594, + label = "OME2 <=> CH3 + COCOCO*", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.33e+19,'s^-1'), n=-0.66, Ea=(351546,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.72e+59,'cm^3/(mol*s)'), n=-11.4, Ea=(389801,'J/mol'), T0=(1,'K')), alpha=1, T3=(1e-30,'K'), T1=(880,'K'), efficiencies={'C': 3.0, 'CC': 4.5, 'O': 9.0, 'O=C=O': 3.0, '[Ar]': 1.0, '[C-]#[O+]': 2.25, '[H][H]': 3.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 595, + label = "OME2*-1 <=> OME1*-1 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.24e+14,'s^-1'), n=-0.22, Ea=(105289,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 596, + label = "OME2 + CH3 <=> OME2*-1 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(10.19,'cm^3/(mol*s)'), n=3.78, Ea=(40477.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 597, + label = "OME2 + OH <=> OME2*-1 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.954e+06,'cm^3/(mol*s)'), n=1.89, Ea=(-1527.53,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 598, + label = "OME2 + H <=> OME2*-1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.3e+12,'cm^3/(mol*s)'), n=0, Ea=(14151.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 599, + label = "OME2 + O <=> OME2*-1 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.689e+06,'cm^3/(mol*s)'), n=2, Ea=(10996.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 600, + label = "OME2 + HO2 <=> OME2*-1 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=0, Ea=(73911.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 601, + label = "OME2 + CH3O <=> OME2*-1 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.02e+10,'cm^3/(mol*s)'), n=0, Ea=(17021.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 602, + label = "OME2*-2 <=> COCOCHO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+29,'s^-1'), n=-15.95, Ea=(478082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 603, + label = "OME2*-2 <=> (C2H4O2) + (C2H5O)", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.24e+14,'s^-1'), n=-0.22, Ea=(105289,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 604, + label = "OME2 + H <=> OME2*-2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0176,'cm^3/(mol*s)'), n=2.68, Ea=(122007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 605, + label = "OME2 + CH3 <=> OME2*-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.993e+11,'cm^3/(mol*s)'), n=0, Ea=(40807.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 606, + label = "OME2 + HO2 <=> OME2*-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.6, Ea=(58075.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 607, + label = "OME2 + OH <=> OME2*-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.93, Ea=(16879.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 608, + label = "OME2 + O <=> OME2*-2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(12693.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 609, + label = "OME2 + CH3O <=> OME2*-2 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(19018.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 610, + label = "COCOCO* <=> COCO* + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 611, + label = "COCOCO* <=> COCOCHO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 612, + label = "iOME2 <=> (C3H7O3) + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.658e+24,'s^-1'), n=-1.79, Ea=(353820,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 613, + label = "iOME2 <=> OME1*-1 + CH3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.21e+22,'s^-1'), n=-0.36, Ea=(424624,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 614, + label = "iOME2 <=> iOME2*-2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.562e+16,'s^-1'), n=-2.02, Ea=(379022,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 615, + label = "iOME2 <=> iOME2*-1 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.048e+16,'s^-1'), n=0.05, Ea=(406023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 616, + label = "iOME2*-1 <=> OME1*-2 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.206e+14,'s^-1'), n=0.34, Ea=(91005.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 617, + label = "iOME2 + H <=> iOME2*-1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(162000,'cm^3/(mol*s)'), n=0, Ea=(7798.97,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 618, + label = "iOME2 + O <=> iOME2*-1 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.3e+07,'cm^3/(mol*s)'), n=0, Ea=(22000.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 619, + label = "iOME2 + OH <=> iOME2*-1 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(450,'cm^3/(mol*s)'), n=1.44, Ea=(498.868,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 620, + label = "iOME2 + CH3 <=> iOME2*-1 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.57e-13,'cm^3/(mol*s)'), n=5.58, Ea=(16296.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 621, + label = "iOME2 + HO2 <=> iOME2*-1 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.05e-09,'cm^3/(mol*s)'), n=4.85, Ea=(43301.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 622, + label = "iOME2 + CH3O <=> iOME2*-1 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.26e-07,'cm^3/(mol*s)'), n=4.13, Ea=(26997.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 623, + label = "iOME2 + O2 <=> iOME2*-1 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.08,'cm^3/(mol*s)'), n=2.27, Ea=(199007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 624, + label = "iOME2*-2 <=> (C3H6O3) + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(446200,'s^-1'), n=2.84, Ea=(2702.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 625, + label = "iOME2 + H <=> iOME2*-2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.414,'cm^3/(mol*s)'), n=2.34, Ea=(11199.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 626, + label = "iOME2 + O <=> iOME2*-2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.383,'cm^3/(mol*s)'), n=2.41, Ea=(62001,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 627, + label = "iOME2 + OH <=> iOME2*-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.62,'cm^3/(mol*s)'), n=1.47, Ea=(34006.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 628, + label = "iOME2 + CH3 <=> iOME2*-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.37e-07,'cm^3/(mol*s)'), n=3.72, Ea=(43002.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 629, + label = "iOME2 + HO2 <=> iOME2*-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.8e+06,'cm^3/(mol*s)'), n=0, Ea=(67014.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 630, + label = "iOME2 + CH3O <=> iOME2*-2 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(19000,'cm^3/(mol*s)'), n=0, Ea=(40599.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 631, + label = "iOME2 + O2 <=> iOME2*-2 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+07,'cm^3/(mol*s)'), n=0, Ea=(216010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 632, + label = "(C3H7O3) <=> (C2H4O2) + CH3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.471,'s^-1'), n=3.5, Ea=(65002.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 633, + label = "(C3H6O3) <=> (C2H3O3) + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.02e+22,'s^-1'), n=-1.61, Ea=(373020,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 634, + label = "(C3H6O3) <=> (C2H3O2) + CH3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.38e+23,'s^-1'), n=-2.06, Ea=(439021,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 635, + label = "(C2H3O3) <=> (C2H3O2) + O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.925e+16,'s^-1'), n=-0.41, Ea=(435021,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 636, + label = "(C2H3O3) <=> CH3O + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.084e+17,'s^-1'), n=-1.52, Ea=(16005.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 637, + label = "OME3 <=> OME1*-1 + COCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 638, + label = "OME3 <=> (C2H5O) + COCOCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 639, + label = "OME3 <=> OME2*-1 + CH3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.24e+25,'s^-1'), n=-2.29, Ea=(356520,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 640, + label = "OME3 <=> CH3 + COCOCOCO*", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.33e+19,'s^-1'), n=-0.66, Ea=(351546,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.72e+59,'cm^3/(mol*s)'), n=-11.4, Ea=(389801,'J/mol'), T0=(1,'K')), alpha=1, T3=(1e-30,'K'), T1=(880,'K'), efficiencies={'C': 3.0, 'CC': 4.5, 'O': 9.0, 'O=C=O': 3.0, '[Ar]': 1.0, '[C-]#[O+]': 2.25, '[H][H]': 3.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 641, + label = "OME3*-1 <=> OME2*-1 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.24e+14,'s^-1'), n=-0.22, Ea=(105289,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 642, + label = "OME3 + CH3 <=> OME3*-1 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(10.19,'cm^3/(mol*s)'), n=3.78, Ea=(40477.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 643, + label = "OME3 + OH <=> OME3*-1 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.954e+06,'cm^3/(mol*s)'), n=1.89, Ea=(-1527.53,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 644, + label = "OME3 + H <=> OME3*-1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.3e+12,'cm^3/(mol*s)'), n=0, Ea=(14151.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 645, + label = "OME3 + O <=> OME3*-1 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.689e+06,'cm^3/(mol*s)'), n=2, Ea=(10996.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 646, + label = "OME3 + HO2 <=> OME3*-1 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=0, Ea=(73911.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 647, + label = "OME3 + CH3O <=> OME3*-1 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.02e+10,'cm^3/(mol*s)'), n=0, Ea=(17021.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 648, + label = "OME3*-2 <=> OME1*-1 + (C2H4O2)", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.483e+11,'s^-1'), n=0.544, Ea=(53503.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 649, + label = "OME3*-2 <=> COCOCOCHO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+29,'s^-1'), n=-15.95, Ea=(478082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 650, + label = "OME3*-2 + H <=> OME3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=-0.09, Ea=(2372.95,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 651, + label = "OME3 + H <=> OME3*-2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0176,'cm^3/(mol*s)'), n=2.68, Ea=(122007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 652, + label = "OME3 + CH3 <=> OME3*-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.993e+11,'cm^3/(mol*s)'), n=0, Ea=(40807.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 653, + label = "OME3 + HO2 <=> OME3*-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.6, Ea=(58075.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 654, + label = "OME3 + OH <=> OME3*-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.93, Ea=(16879.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 655, + label = "OME3 + O <=> OME3*-2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(12693.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 656, + label = "OME3 + CH3O <=> OME3*-2 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(19018.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 657, + label = "OME3*-3 <=> COCOCHO + (C2H5O)", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.967e+11,'s^-1'), n=0.544, Ea=(53503.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 658, + label = "OME3*-3 + H <=> OME3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=-0.09, Ea=(2372.95,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 659, + label = "OME3 + H <=> OME3*-3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0176,'cm^3/(mol*s)'), n=2.68, Ea=(122007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 660, + label = "OME3 + CH3 <=> OME3*-3 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.993e+11,'cm^3/(mol*s)'), n=0, Ea=(40807.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 661, + label = "OME3 + HO2 <=> OME3*-3 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.6, Ea=(58075.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 662, + label = "OME3 + OH <=> OME3*-3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.93, Ea=(16879.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 663, + label = "OME3 + O <=> OME3*-3 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(12693.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 664, + label = "OME3 + CH3O <=> OME3*-3 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(19018.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 665, + label = "COCOCOCO* <=> COCOCO* + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 666, + label = "COCOCOCO* <=> COCOCOCHO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 667, + label = "COCOCOCHO + H <=> COCOCOC*O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.668e+12,'cm^3/(mol*s)'), n=2.05, Ea=(37172.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 668, + label = "COCOCOCHO + OH <=> COCOCOC*O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.915e+11,'cm^3/(mol*s)'), n=2, Ea=(6102.82,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 669, + label = "COCOCOCHO + O <=> COCOCOC*O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.373e+13,'cm^3/(mol*s)'), n=0, Ea=(23945.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 670, + label = "COCOCOCHO + CH3 <=> COCOCOC*O + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.764e+09,'cm^3/(mol*s)'), n=3.35, Ea=(48223.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 671, + label = "COCOCOCHO + H <=> COCOC*OCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 672, + label = "COCOCOCHO + OH <=> COCOC*OCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 673, + label = "COCOCOCHO + CH3 <=> COCOC*OCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 674, + label = "COCOCOCHO + H <=> COC*OCOCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 675, + label = "COCOCOCHO + OH <=> COC*OCOCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 676, + label = "COCOCOCHO + CH3 <=> COC*OCOCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 677, + label = "COCOCOCHO + H <=> C*OCOCOCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 678, + label = "COCOCOCHO + OH <=> C*OCOCOCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 679, + label = "COCOCOCHO + CH3 <=> C*OCOCOCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 680, + label = "COCOCOC*O <=> OME1*-1 + CO2", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.0066,0.0395,0.0921,0.2632,1,10],'atm'), arrhenius=[Arrhenius(A=(6.63e+07,'s^-1'), n=-0.07, Ea=(32943.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.21e+08,'s^-1'), n=0, Ea=(32738.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.12e+08,'s^-1'), n=0, Ea=(33127.1,'J/mol'), T0=(1,'K')), Arrhenius(A=(9.56e+08,'s^-1'), n=0.05, Ea=(33165.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.89e+09,'s^-1'), n=0.13, Ea=(33317.7,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.06e+10,'s^-1'), n=0.18, Ea=(35002.3,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 681, + label = "OCOCHO + (C2H5O) <=> COCOC*OCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+07,'cm^3/(mol*s)'), n=-0.67, Ea=(27861.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 682, + label = "COCOCHO + HCO <=> COCOC*OCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+07,'cm^3/(mol*s)'), n=-0.67, Ea=(27861.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 683, + label = "(C2H4O2) + (C2H3O2) <=> COC*OCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 684, + label = "COC*OCOCHO <=> OCOCOCHO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+29,'s^-1'), n=-15.95, Ea=(478082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 685, + label = "C*OCOCOCHO <=> C*OCOCHO + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.34e+13,'s^-1'), n=-0.4, Ea=(102823,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 686, + label = "(C2H3O2) + CH2O <=> C*OCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+07,'cm^3/(mol*s)'), n=-0.67, Ea=(27861.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 687, + label = "COC*OCHO + H <=> COCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=-0.09, Ea=(2372.95,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 688, + label = "COC*OCHO <=> OCOCHO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+29,'s^-1'), n=-15.95, Ea=(478082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 689, + label = "(CHO2) + (C2H3O2) <=> OCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 690, + label = "(CHO2) + HCO <=> OCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 691, + label = "(C2H5O) + O2 <=> CH3OCH2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 692, + label = "CH3OCH2O2 + CH3CHO <=> CH3OCH2O2H + CH3CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.8e+12,'cm^3/(mol*s)'), n=0, Ea=(56822.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 693, + label = "CH3OCH2O2 + CH2O <=> CH3OCH2O2H + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(48717,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 694, + label = "COCO* + OH <=> CH3OCH2O2H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 695, + label = "OME4 <=> (C2H5O) + COCOCOCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 696, + label = "OME4 <=> OME2*-1 + COCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 697, + label = "OME4 <=> OME1*-1 + COCOCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 698, + label = "OME4 <=> OME3*-1 + CH3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.24e+25,'s^-1'), n=-2.29, Ea=(356520,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 699, + label = "OME4 <=> CH3 + COCOCOCOCO*", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.33e+19,'s^-1'), n=-0.66, Ea=(351546,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.72e+59,'cm^3/(mol*s)'), n=-11.4, Ea=(389801,'J/mol'), T0=(1,'K')), alpha=1, T3=(1e-30,'K'), T1=(880,'K'), efficiencies={'C': 3.0, 'CC': 4.5, 'O': 9.0, 'O=C=O': 3.0, '[Ar]': 1.0, '[C-]#[O+]': 2.25, '[H][H]': 3.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 700, + label = "OME4*-1 <=> OME3*-1 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.24e+14,'s^-1'), n=-0.22, Ea=(105289,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 701, + label = "OME4 + CH3 <=> OME4*-1 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(10.19,'cm^3/(mol*s)'), n=3.78, Ea=(40477.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 702, + label = "OME4 + OH <=> OME4*-1 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.954e+06,'cm^3/(mol*s)'), n=1.89, Ea=(-1527.53,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 703, + label = "OME4 + H <=> OME4*-1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.3e+12,'cm^3/(mol*s)'), n=0, Ea=(14151.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 704, + label = "OME4 + O <=> OME4*-1 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.689e+06,'cm^3/(mol*s)'), n=2, Ea=(10996.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 705, + label = "OME4 + HO2 <=> OME4*-1 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=0, Ea=(73911.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 706, + label = "OME4*-2 <=> (C2H4O2) + OME2*-1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.48e+11,'s^-1'), n=0.544, Ea=(53503.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 707, + label = "OME4*-2 <=> COCOCOCOCHO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+29,'s^-1'), n=-15.95, Ea=(478082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 708, + label = "OME4*-2 + H <=> OME4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=-0.09, Ea=(2372.95,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 709, + label = "OME4 + H <=> OME4*-2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0176,'cm^3/(mol*s)'), n=2.68, Ea=(122007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 710, + label = "OME4 + CH3 <=> OME4*-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.993e+11,'cm^3/(mol*s)'), n=0, Ea=(40807.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 711, + label = "OME4 + HO2 <=> OME4*-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.6, Ea=(58075.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 712, + label = "OME4 + OH <=> OME4*-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.93, Ea=(16879.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 713, + label = "OME4 + O <=> OME4*-2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(12693.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 714, + label = "OME4 + CH3O <=> OME4*-2 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(19018.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 715, + label = "OME4*-3 <=> COCOCOCHO + (C2H5O)", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.967e+11,'s^-1'), n=0.544, Ea=(53503.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 716, + label = "OME4*-3 <=> COCOCHO + OME1*-1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.967e+11,'s^-1'), n=0.544, Ea=(53503.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 717, + label = "OME4*-3 + H <=> OME4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=-0.09, Ea=(2372.95,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 718, + label = "OME4 + H <=> OME4*-3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0176,'cm^3/(mol*s)'), n=2.68, Ea=(122007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 719, + label = "OME4 + CH3 <=> OME4*-3 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.993e+11,'cm^3/(mol*s)'), n=0, Ea=(40807.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 720, + label = "OME4 + HO2 <=> OME4*-3 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.6, Ea=(58075.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 721, + label = "OME4 + OH <=> OME4*-3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.93, Ea=(16879.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 722, + label = "OME4 + O <=> OME4*-3 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(12693.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 723, + label = "OME4 + CH3O <=> OME4*-3 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(19018.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 724, + label = "COCOCOCOCO* <=> COCOCOCO* + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 725, + label = "COCOCOCOCO* <=> COCOCOCOCHO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 726, + label = "COCOCOCOCHO + H <=> COCOCOCOC*O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.668e+12,'cm^3/(mol*s)'), n=2.05, Ea=(37172.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 727, + label = "COCOCOCOCHO + OH <=> COCOCOCOC*O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.915e+11,'cm^3/(mol*s)'), n=2, Ea=(6102.82,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 728, + label = "COCOCOCOCHO + O <=> COCOCOCOC*O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.373e+13,'cm^3/(mol*s)'), n=0, Ea=(23945.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 729, + label = "COCOCOCOCHO + CH3 <=> COCOCOCOC*O + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.764e+09,'cm^3/(mol*s)'), n=3.35, Ea=(48223.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 730, + label = "COCOCOCOCHO + H <=> COCOCOC*OCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 731, + label = "COCOCOCOCHO + OH <=> COCOCOC*OCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 732, + label = "COCOCOCOCHO + CH3 <=> COCOCOC*OCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 733, + label = "COCOCOCOCHO + H <=> COCOC*OCOCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 734, + label = "COCOCOCOCHO + OH <=> COCOC*OCOCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 735, + label = "COCOCOCOCHO + CH3 <=> COCOC*OCOCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 736, + label = "COCOCOCOCHO + H <=> COC*OCOCOCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 737, + label = "COCOCOCOCHO + OH <=> COC*OCOCOCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 738, + label = "COCOCOCOCHO + CH3 <=> COC*OCOCOCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 739, + label = "COCOCOCOCHO + H <=> C*OCOCOCOCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 740, + label = "COCOCOCOCHO + OH <=> C*OCOCOCOCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 741, + label = "COCOCOCOCHO + CH3 <=> C*OCOCOCOCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 742, + label = "COCOCOCOC*O <=> OME2*-1 + CO2", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.0066,0.0395,0.0921,0.2632,1,10],'atm'), arrhenius=[Arrhenius(A=(6.63e+07,'s^-1'), n=-0.07, Ea=(32943.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.21e+08,'s^-1'), n=0, Ea=(32738.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.12e+08,'s^-1'), n=0, Ea=(33127.1,'J/mol'), T0=(1,'K')), Arrhenius(A=(9.56e+08,'s^-1'), n=0.05, Ea=(33165.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.89e+09,'s^-1'), n=0.13, Ea=(33317.7,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.06e+10,'s^-1'), n=0.18, Ea=(35002.3,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 743, + label = "OCOCHO + OME1*-1 <=> COCOCOC*OCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+07,'cm^3/(mol*s)'), n=-0.67, Ea=(27861.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 744, + label = "OCOCOCHO + (C2H5O) <=> COCOCOC*OCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+07,'cm^3/(mol*s)'), n=-0.67, Ea=(27861.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 745, + label = "(C2H3O2) + COCOCHO <=> COCOC*OCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 746, + label = "C*OCOCHO + (C2H4O2) <=> COC*OCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 747, + label = "COC*OCOCOCHO <=> OCOCOCOCHO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+29,'s^-1'), n=-15.95, Ea=(478082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 748, + label = "C*OCOCOCOCHO <=> C*OCOCOCHO + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.34e+13,'s^-1'), n=-0.4, Ea=(102823,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 749, + label = "O*COCHO + HCO <=> OCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 750, + label = "O*COCHO + (C2H3O2) <=> OCOCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 751, + label = "C*OCOCHO + (CHO2) <=> OCOCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 752, + label = "O*COCOCHO + HCO <=> OCOCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 753, + label = "O*COCHO <=> (CHO2) + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.34e+13,'s^-1'), n=-0.4, Ea=(102823,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 754, + label = "OCOCOCHO + H <=> O*COCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.023e+07,'cm^3/(mol*s)'), n=-0.67, Ea=(17449.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 755, + label = "O*COCOCHO <=> O*COCHO + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.34e+13,'s^-1'), n=-0.4, Ea=(102823,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 756, + label = "OME5 <=> (C2H5O) + COCOCOCOCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 757, + label = "OME5 <=> OME1*-1 + COCOCOCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 758, + label = "OME5 <=> OME2*-1 + COCOCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 759, + label = "OME5 <=> OME3*-1 + COCO*", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 760, + label = "OME5 <=> OME4*-1 + CH3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.18e+10,'s^-1'), n=0, Ea=(201127,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 761, + label = "OME5 <=> CH3 + COCOCOCOCOCO*", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.33e+19,'s^-1'), n=-0.66, Ea=(351546,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.72e+59,'cm^3/(mol*s)'), n=-11.4, Ea=(389801,'J/mol'), T0=(1,'K')), alpha=1, T3=(1e-30,'K'), T1=(880,'K'), efficiencies={'C': 3.0, 'CC': 4.5, 'O': 9.0, 'O=C=O': 3.0, '[Ar]': 1.0, '[C-]#[O+]': 2.25, '[H][H]': 3.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 762, + label = "OME5*-1 <=> OME4*-1 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.24e+14,'s^-1'), n=-0.22, Ea=(105289,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 763, + label = "OME5 + CH3 <=> OME5*-1 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(10.19,'cm^3/(mol*s)'), n=3.78, Ea=(40477.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 764, + label = "OME5 + OH <=> OME5*-1 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.954e+06,'cm^3/(mol*s)'), n=1.89, Ea=(-1527.53,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 765, + label = "OME5 + H <=> OME5*-1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.3e+12,'cm^3/(mol*s)'), n=0, Ea=(14151.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 766, + label = "OME5 + O <=> OME5*-1 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.689e+06,'cm^3/(mol*s)'), n=2, Ea=(10996.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 767, + label = "OME5 + HO2 <=> OME5*-1 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=0, Ea=(73911.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 768, + label = "OME5*-2 <=> (C2H4O2) + OME3*-1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.48e+11,'s^-1'), n=0.544, Ea=(53503.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 769, + label = "OME5*-2 <=> COCOCOCOCOCHO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+29,'s^-1'), n=-15.95, Ea=(478082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 770, + label = "OME5*-2 + H <=> OME5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=-0.09, Ea=(2372.95,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 771, + label = "OME5 + H <=> OME5*-2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0176,'cm^3/(mol*s)'), n=2.68, Ea=(122007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 772, + label = "OME5 + CH3 <=> OME5*-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.993e+11,'cm^3/(mol*s)'), n=0, Ea=(40807.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 773, + label = "OME5 + HO2 <=> OME5*-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.6, Ea=(58075.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 774, + label = "OME5 + OH <=> OME5*-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.93, Ea=(16879.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 775, + label = "OME5 + O <=> OME5*-2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(12693.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 776, + label = "OME5 + CH3O <=> OME5*-2 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(19018.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 777, + label = "OME5*-3 <=> COCOCOCOCHO + (C2H5O)", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.967e+11,'s^-1'), n=0.544, Ea=(53503.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 778, + label = "OME5*-3 <=> COCOCHO + OME2*-1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.967e+11,'s^-1'), n=0.544, Ea=(53503.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 779, + label = "OME5*-3 + H <=> OME5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=-0.09, Ea=(2372.95,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 780, + label = "OME5 + H <=> OME5*-3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0176,'cm^3/(mol*s)'), n=2.68, Ea=(122007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 781, + label = "OME5 + CH3 <=> OME5*-3 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.993e+11,'cm^3/(mol*s)'), n=0, Ea=(40807.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 782, + label = "OME5 + HO2 <=> OME5*-3 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.6, Ea=(58075.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 783, + label = "OME5 + OH <=> OME5*-3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.93, Ea=(16879.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 784, + label = "OME5 + O <=> OME5*-3 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(12693.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 785, + label = "OME5 + CH3O <=> OME5*-3 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(19018.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 786, + label = "OME5*-4 <=> OME1*-1 + COCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.967e+11,'s^-1'), n=0.544, Ea=(53503.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 787, + label = "OME5*-4 + H <=> OME5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=-0.09, Ea=(2372.95,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 788, + label = "OME5 + H <=> OME5*-4 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0176,'cm^3/(mol*s)'), n=2.68, Ea=(122007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 789, + label = "OME5 + CH3 <=> OME5*-4 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.993e+11,'cm^3/(mol*s)'), n=0, Ea=(40807.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 790, + label = "OME5 + HO2 <=> OME5*-4 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.6, Ea=(58075.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 791, + label = "OME5 + OH <=> OME5*-4 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.93, Ea=(16879.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 792, + label = "OME5 + O <=> OME5*-4 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(12693.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 793, + label = "OME5 + CH3O <=> OME5*-4 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+10,'cm^3/(mol*s)'), n=0, Ea=(19018.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 794, + label = "COCOCOCOCOCO* <=> COCOCOCOCO* + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 795, + label = "COCOCOCOCOCO* <=> COCOCOCOCOCHO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.43e+15,'s^-1'), n=-0.69, Ea=(93005.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 796, + label = "COCOCOCOCOCHO + H <=> COCOCOCOCOC*O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.668e+12,'cm^3/(mol*s)'), n=2.05, Ea=(37172.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 797, + label = "COCOCOCOCOCHO + OH <=> COCOCOCOCOC*O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.915e+11,'cm^3/(mol*s)'), n=2, Ea=(6102.82,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 798, + label = "COCOCOCOCOCHO + O <=> COCOCOCOCOC*O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.373e+13,'cm^3/(mol*s)'), n=0, Ea=(23945.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 799, + label = "COCOCOCOCOCHO + CH3 <=> COCOCOCOCOC*O + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.764e+09,'cm^3/(mol*s)'), n=3.35, Ea=(48223.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 800, + label = "COCOCOCOCOCHO + H <=> COCOCOCOC*OCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 801, + label = "COCOCOCOCOCHO + OH <=> COCOCOCOC*OCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 802, + label = "COCOCOCOCOCHO + CH3 <=> COCOCOCOC*OCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 803, + label = "COCOCOCOCOCHO + H <=> COCOCOC*OCOCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 804, + label = "COCOCOCOCOCHO + OH <=> COCOCOC*OCOCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 805, + label = "COCOCOCOCOCHO + CH3 <=> COCOCOC*OCOCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 806, + label = "COCOCOCOCOCHO + H <=> COCOC*OCOCOCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 807, + label = "COCOCOCOCOCHO + OH <=> COCOC*OCOCOCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 808, + label = "COCOCOCOCOCHO + CH3 <=> COCOC*OCOCOCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 809, + label = "COCOCOCOCOCHO + H <=> COC*OCOCOCOCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 810, + label = "COCOCOCOCOCHO + OH <=> COC*OCOCOCOCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 811, + label = "COCOCOCOCOCHO + CH3 <=> COC*OCOCOCOCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 812, + label = "COCOCOCOCOCHO + H <=> C*OCOCOCOCOCHO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(650000,'cm^3/(mol*s)'), n=2.4, Ea=(18680.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 813, + label = "COCOCOCOCOCHO + OH <=> C*OCOCOCOCOCHO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.986e+10,'cm^3/(mol*s)'), n=1.87, Ea=(109.751,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 814, + label = "COCOCOCOCOCHO + CH3 <=> C*OCOCOCOCOCHO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.09e+10,'cm^3/(mol*s)'), n=3.32, Ea=(41871.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 815, + label = "COCOCOCOCOC*O <=> OME3*-1 + CO2", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.0066,0.0395,0.0921,0.2632,1,10],'atm'), arrhenius=[Arrhenius(A=(6.63e+07,'s^-1'), n=-0.07, Ea=(32943.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.21e+08,'s^-1'), n=0, Ea=(32738.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.12e+08,'s^-1'), n=0, Ea=(33127.1,'J/mol'), T0=(1,'K')), Arrhenius(A=(9.56e+08,'s^-1'), n=0.05, Ea=(33165.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.89e+09,'s^-1'), n=0.13, Ea=(33317.7,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.06e+10,'s^-1'), n=0.18, Ea=(35002.3,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 816, + label = "OCOCHO + OME2*-1 <=> COCOCOCOC*OCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+07,'cm^3/(mol*s)'), n=-0.67, Ea=(27861.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 817, + label = "(C2H3O2) + COCOCOCHO <=> COCOCOC*OCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 818, + label = "OME1*-1 + OCOCOCHO <=> COCOCOC*OCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 819, + label = "COCOCHO + C*OCOCHO <=> COCOC*OCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 820, + label = "(C2H5O) + OCOCOCOCHO <=> COCOC*OCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 821, + label = "(C2H4O2) + C*OCOCOCHO <=> COC*OCOCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.5e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 822, + label = "COC*OCOCOCOCHO <=> OCOCOCOCOCHO + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.37e+29,'s^-1'), n=-15.95, Ea=(478082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 823, + label = "C*OCOCOCOCOCHO <=> C*OCOCOCOCHO + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.34e+13,'s^-1'), n=-0.4, Ea=(102823,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 824, + label = "C*OCOCHO + O*COCHO <=> OCOCOCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.8e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 825, + label = "O*COCOCHO + (C2H3O2) <=> OCOCOCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.8e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 826, + label = "C*OCOCOCHO + (CHO2) <=> OCOCOCOCOCHO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.54e+06,'cm^3/(mol*s)'), n=0.02, Ea=(7025.73,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 827, + label = "C5H8 + OH <=> CH3CHO + C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 828, + label = "C5H9 + C3H5 <=> C5H8 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 829, + label = "C5H9 <=> C3H5 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+13,'s^-1'), n=0, Ea=(125549,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 830, + label = "C5H9 <=> C4H6 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'s^-1'), n=0, Ea=(266063,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 831, + label = "C5H9 + CH3 <=> C5H8 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 832, + label = "C5H9 + H <=> C5H8 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 833, + label = "iC5H9 <=> C4H6 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+24,'s^-1'), n=-3, Ea=(187076,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 834, + label = "iC5H9 <=> C3H5 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+13,'s^-1'), n=0, Ea=(125549,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 835, + label = "iC5H9 <=> C3H4 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.983e+20,'s^-1'), n=-1.63, Ea=(247505,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 836, + label = "C5H9 + H <=> C5H10", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.01e+48,'cm^6/(mol^2*s)'), n=-9.32, Ea=(24373.9,'J/mol'), T0=(1,'K')), alpha=0.498, T3=(1314,'K'), T1=(1314,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 837, + label = "C5H10 <=> C2H5 + C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.24e+22,'s^-1'), n=-1.94, Ea=(315323,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 838, + label = "C5H10 <=> C3H6 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.62e+06,'s^-1'), n=1.81, Ea=(223338,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 839, + label = "C5H10 + H <=> nC3H7 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+21,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 840, + label = "C5H10 + H <=> C3H6 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+22,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 841, + label = "C5H10 + H <=> C5H9 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(54000,'cm^3/(mol*s)'), n=2.5, Ea=(-7938.66,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 842, + label = "C5H10 + O <=> pC4H9 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+08,'cm^3/(mol*s)'), n=1.45, Ea=(-1679.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 843, + label = "C5H10 + O <=> C5H9 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.745,'cm^3/(mol*s)'), n=4.17, Ea=(11557.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 844, + label = "C5H10 + OH <=> C5H9 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(700,'cm^3/(mol*s)'), n=2.66, Ea=(2201.67,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 845, + label = "C5H10 + O2 <=> C5H9 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(212792,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 846, + label = "C5H10 + HO2 <=> C5H9 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(59914.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 847, + label = "C5H10 + CH3 <=> C5H9 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.58e-08,'cm^3/(mol*s)'), n=6.08, Ea=(26000.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 848, + label = "iC5H10 <=> iC4H7 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.56e+16,'s^-1'), n=-0.65, Ea=(307261,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 849, + label = "iC5H10 <=> C3H5 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.922e+24,'s^-1'), n=-2.41, Ea=(419902,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 850, + label = "nC4H7 + CH3 <=> iC5H10", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 851, + label = "iC5H10 + H <=> iC5H9 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(173000,'cm^3/(mol*s)'), n=2.5, Ea=(10411.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 852, + label = "iC5H10 + O <=> iC5H9 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(370000,'cm^3/(mol*s)'), n=2.56, Ea=(-4721.29,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 853, + label = "iC5H10 + OH <=> iC5H9 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.12e+06,'cm^3/(mol*s)'), n=2, Ea=(-1245.09,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 854, + label = "iC5H10 + HO2 <=> iC5H9 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9639,'cm^3/(mol*s)'), n=2.6, Ea=(58117.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 855, + label = "iC5H10 + CH3 <=> iC5H9 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.21,'cm^3/(mol*s)'), n=3.5, Ea=(23710.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 856, + label = "C5H11 <=> C3H6 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1917,'s^-1'), n=0.27, Ea=(122007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 857, + label = "C5H11 <=> C4H8 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+16,'s^-1'), n=0, Ea=(215012,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 858, + label = "C5H11 <=> nC3H7 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.04e+13,'s^-1'), n=0.32, Ea=(121009,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 859, + label = "C5H11 + O2 <=> C5H10 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.903e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 860, + label = "iC5H11 <=> iC5H10 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.55e+16,'s^-1'), n=-0.92, Ea=(151955,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 861, + label = "iC5H11 <=> iC4H8 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.07e+13,'s^-1'), n=1.09, Ea=(125008,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 862, + label = "iC5H11 + O2 <=> iC4H8 + CH2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.198e+16,'cm^3/(mol*s)'), n=-6.64, Ea=(76044.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 863, + label = "iC5H11 <=> C3H6 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.028e+18,'s^-1'), n=-1.19, Ea=(131369,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 864, + label = "iC5H11 <=> C4H8 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.094e+16,'s^-1'), n=-0.86, Ea=(124509,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 865, + label = "C6H10 + H <=> C4H8 + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.46e+30,'cm^3/(mol*s)'), n=-4.34, Ea=(90444,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 866, + label = "C6H10 + H <=> nC4H7 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+22,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 867, + label = "C6H10 + H <=> C4H6 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(8356.04,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 868, + label = "C6H11 <=> C6H10 + H", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([1,10],'atm'), arrhenius=[Arrhenius(A=(2.48e+53,'s^-1'), n=-12.3, Ea=(217263,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.85e+48,'s^-1'), n=-10.5, Ea=(430440,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 869, + label = "C6H11 <=> C5H8 + CH3", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(8.13e+10,'s^-1'), n=0.8, Ea=(123873,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(4e-39,'cm^3/(mol*s)'), n=16.8, Ea=(-2508.48,'J/mol'), T0=(1,'K')), alpha=-7.03, T3=(314,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 870, + label = "C6H11 <=> C4H6 + C2H5", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.39e+11,'s^-1'), n=0.66, Ea=(134798,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(4e-42,'cm^3/(mol*s)'), n=18.05, Ea=(-2517.62,'J/mol'), T0=(1,'K')), alpha=-18.5, T3=(246,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 871, + label = "C6H11 <=> C3H6 + C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+24,'s^-1'), n=-2.99, Ea=(224491,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 872, + label = "C4H8 + C2H3 <=> C6H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.23e+10,'cm^3/(mol*s)'), n=0, Ea=(35918.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 873, + label = "C6H11 + H <=> CH3 + C5H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+21,'cm^3/(mol*s)'), n=-2, Ea=(45959.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 874, + label = "C6H11 + H <=> C6H10 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 875, + label = "C6H11 + HO2 <=> C6H10 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 876, + label = "C6H11 + HCO <=> C6H12 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 877, + label = "C6H11 + CH3 <=> C6H10 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 878, + label = "tC4H9 + C2H2 <=> iC6H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.23e+10,'cm^3/(mol*s)'), n=0, Ea=(35918.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 879, + label = "iC6H11 => C3H6 + C3H5", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.5e+24,'s^-1'), n=-3, Ea=(187076,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 880, + label = "iC6H11 => C5H8 + CH3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.5e+24,'s^-1'), n=-3, Ea=(187076,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 881, + label = "C6H11 + H <=> C6H12", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.01e+48,'cm^6/(mol^2*s)'), n=-9.32, Ea=(24373.9,'J/mol'), T0=(1,'K')), alpha=0.498, T3=(1314,'K'), T1=(1314,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 882, + label = "C6H12 <=> C3H5 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.07e+23,'s^-1'), n=-2.03, Ea=(313184,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 883, + label = "C6H12 <=> C3H6 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.08e+06,'s^-1'), n=1.65, Ea=(224583,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 884, + label = "C6H12 + H <=> C2H4 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+21,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 885, + label = "C6H12 + H <=> C3H6 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+22,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 886, + label = "C6H12 + H <=> C6H11 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0317,'cm^3/(mol*s)'), n=4.65, Ea=(5598.97,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 887, + label = "C6H12 + O <=> C5H11 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+08,'cm^3/(mol*s)'), n=1.45, Ea=(-1679.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 888, + label = "C6H12 + O <=> C6H11 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.745,'cm^3/(mol*s)'), n=4.17, Ea=(11557.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 889, + label = "C6H12 + OH <=> C6H11 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(700,'cm^3/(mol*s)'), n=2.66, Ea=(2201.67,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 890, + label = "C6H12 + O2 <=> C6H11 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(212792,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 891, + label = "C6H12 + HO2 <=> C6H11 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(59914.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 892, + label = "C6H12 + CH3 <=> C6H11 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.58e-08,'cm^3/(mol*s)'), n=6.08, Ea=(26000.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 893, + label = "iC6H12 => iC4H7 + C2H5", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1e+16,'s^-1'), n=0, Ea=(296647,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 894, + label = "iC4H7 + C2H5 => iC6H12", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 895, + label = "iC6H12 => C5H9 + CH3", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1e+16,'s^-1'), n=0, Ea=(296647,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 896, + label = "C5H9 + CH3 => iC6H12", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 897, + label = "iC6H12 => iC3H7 + C3H5", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1e+16,'s^-1'), n=0, Ea=(296647,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 898, + label = "iC3H7 + C3H5 => iC6H12", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 899, + label = "iC6H12 + H <=> iC6H11 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(16213.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 900, + label = "iC6H12 + OH <=> iC6H11 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(5113.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 901, + label = "iC6H12 + O <=> iC6H11 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(16628.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 902, + label = "iC6H12 + CH3 <=> iC6H11 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(30347.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 903, + label = "C6H13 <=> C5H10 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+10,'s^-1'), n=1.08, Ea=(122971,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 904, + label = "C6H13 <=> C6H12 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'s^-1'), n=0, Ea=(166289,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 905, + label = "C6H13 <=> nC3H7 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+10,'s^-1'), n=0.84, Ea=(116411,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 906, + label = "C6H13 <=> C4H8 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.04e+13,'s^-1'), n=0.04, Ea=(119230,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 907, + label = "C6H13 <=> pC4H9 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.04e+13,'s^-1'), n=0.04, Ea=(119230,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 908, + label = "C6H13 + O2 <=> C6H12 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 909, + label = "iC6H13 <=> C6H12 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(166289,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 910, + label = "iC6H13 <=> C5H10 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.29e+11,'s^-1'), n=0, Ea=(97861.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 911, + label = "iC6H13 <=> C3H6 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.88e+12,'s^-1'), n=0, Ea=(88258.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 912, + label = "iC6H13 <=> C3H6 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.79e+11,'s^-1'), n=0, Ea=(94452.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 913, + label = "iC6H13 <=> tC4H9 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'s^-1'), n=0, Ea=(92623.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 914, + label = "iC6H13 <=> iC4H8 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+12,'s^-1'), n=0, Ea=(87967.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 915, + label = "iC6H13 + O2 <=> C6H12 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(8314.47,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 916, + label = "C5H11 + CH3 <=> N-C6H14", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(-2493.51,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 917, + label = "pC4H9 + C2H5 <=> N-C6H14", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(-2493.51,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 918, + label = "nC3H7 + nC3H7 <=> N-C6H14", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(-2493.51,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 919, + label = "C6H13 + H <=> N-C6H14", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.61e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 920, + label = "N-C6H14 + H <=> C6H13 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.6e+06,'cm^3/(mol*s)'), n=2.4, Ea=(18706.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 921, + label = "N-C6H14 + OH <=> C6H13 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.36e+07,'cm^3/(mol*s)'), n=1.61, Ea=(-146.335,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 922, + label = "N-C6H14 + O <=> C6H13 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.189e+06,'cm^3/(mol*s)'), n=2.44, Ea=(11908,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 923, + label = "N-C6H14 + HO2 <=> C6H13 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e+13,'cm^3/(mol*s)'), n=0, Ea=(74015.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 924, + label = "N-C6H14 + CH3 <=> C6H13 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(168000,'cm^3/(mol*s)'), n=2.13, Ea=(31689.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 925, + label = "C7H13 <=> C3H4 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+24,'s^-1'), n=-2.99, Ea=(224491,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 926, + label = "C7H13 <=> nC3H7 + C4H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+24,'s^-1'), n=-2.99, Ea=(224491,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 927, + label = "C7H13 <=> C2H5 + C5H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+23,'s^-1'), n=-2.99, Ea=(224491,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 928, + label = "C7H13 <=> C6H10 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.5e+24,'s^-1'), n=-2.99, Ea=(224491,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 929, + label = "C7H13 + H <=> C7H14", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.01e+48,'cm^6/(mol^2*s)'), n=-9.32, Ea=(24373.9,'J/mol'), T0=(1,'K')), alpha=0.498, T3=(1314,'K'), T1=(1314,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 930, + label = "C7H14 <=> pC4H9 + C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.07e+23,'s^-1'), n=-2.03, Ea=(313184,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 931, + label = "C7H14 <=> C4H8 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.08e+06,'s^-1'), n=1.65, Ea=(224583,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 932, + label = "C7H14 + H <=> C2H4 + C5H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+21,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 933, + label = "C7H14 + H <=> C3H6 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+22,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 934, + label = "C7H14 + H <=> C7H13 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0323,'cm^3/(mol*s)'), n=4.7, Ea=(15371,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 935, + label = "C7H14 + O <=> C6H13 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+08,'cm^3/(mol*s)'), n=1.45, Ea=(-1679.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 936, + label = "C7H14 + O <=> C7H13 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.745,'cm^3/(mol*s)'), n=4.17, Ea=(11556.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 937, + label = "C7H14 + OH <=> C7H13 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(700,'cm^3/(mol*s)'), n=2.66, Ea=(2201.67,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 938, + label = "C7H14 + O2 <=> C7H13 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(212792,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 939, + label = "C7H14 + HO2 <=> C7H13 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(59914.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 940, + label = "C7H14 + CH3 <=> C7H13 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.58e-08,'cm^3/(mol*s)'), n=6.08, Ea=(26000.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 941, + label = "C7H14 + H <=> C7H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.56e+09,'cm^3/(mol*s)'), n=1.6, Ea=(2422.84,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 942, + label = "C7H15 <=> C6H12 + CH3", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.1e+11,'s^-1'), n=0.75, Ea=(122846,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.06e-42,'cm^3/(mol*s)'), n=18, Ea=(-2519.29,'J/mol'), T0=(1,'K')), alpha=-20.94, T3=(217,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 943, + label = "C7H15 <=> pC4H9 + C3H6", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(5.01e+11,'s^-1'), n=0.56, Ea=(117375,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(8.9e-39,'cm^3/(mol*s)'), n=16.934, Ea=(-2519.29,'J/mol'), T0=(1,'K')), alpha=-25.27, T3=(223,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 944, + label = "C7H15 <=> nC3H7 + C4H8", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.95e+12,'s^-1'), n=0.31, Ea=(118066,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2e-38,'cm^3/(mol*s)'), n=16.814, Ea=(-2519.29,'J/mol'), T0=(1,'K')), alpha=-20.96, T3=(221,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 945, + label = "C7H15 <=> C2H4 + C5H11", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(7.94e+11,'s^-1'), n=0.33, Ea=(113684,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.8e-44,'cm^3/(mol*s)'), n=18.729, Ea=(-2519.29,'J/mol'), T0=(1,'K')), alpha=-14.66, T3=(219,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 946, + label = "C7H15 <=> C2H5 + C5H10", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(5.89e+12,'s^-1'), n=0.31, Ea=(118066,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.1e-38,'cm^3/(mol*s)'), n=16.897, Ea=(-2519.29,'J/mol'), T0=(1,'K')), alpha=-27.54, T3=(224,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 947, + label = "C7H15 + O2 <=> C7H14 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.07,'cm^3/(mol*s)'), n=3.7, Ea=(38948.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 948, + label = "N-C7H16 <=> C6H13 + CH3", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.01,0.1,1,2,5,10,20,50],'atm'), arrhenius=[Arrhenius(A=(3.21e+84,'s^-1'), n=-20.2, Ea=(503824,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.98e+69,'s^-1'), n=-15.58, Ea=(476962,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.48e+51,'s^-1'), n=-10.36, Ea=(440044,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.58e+46,'s^-1'), n=-8.84, Ea=(428392,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.36e+40,'s^-1'), n=-6.96, Ea=(413593,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.73e+35,'s^-1'), n=-5.68, Ea=(403293,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.09e+31,'s^-1'), n=-4.56, Ea=(394098,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.41e+27,'s^-1'), n=-3.35, Ea=(383982,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 949, + label = "N-C7H16 <=> C5H11 + C2H5", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.01,0.1,1,2,5,10,20,50],'atm'), arrhenius=[Arrhenius(A=(5.31e+77,'s^-1'), n=-18.03, Ea=(488565,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.48e+61,'s^-1'), n=-13.11, Ea=(457463,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.62e+43,'s^-1'), n=-7.87, Ea=(418991,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.04e+38,'s^-1'), n=-6.39, Ea=(407405,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.82e+32,'s^-1'), n=-4.59, Ea=(393003,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.11e+28,'s^-1'), n=-3.39, Ea=(383180,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.56e+24,'s^-1'), n=-2.35, Ea=(374548,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.45e+20,'s^-1'), n=-1.24, Ea=(365226,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 950, + label = "N-C7H16 <=> pC4H9 + nC3H7", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.01,0.1,1,2,5,10,20,50],'atm'), arrhenius=[Arrhenius(A=(8.03e+87,'s^-1'), n=-20.87, Ea=(501726,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.26e+72,'s^-1'), n=-16.19, Ea=(474201,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.14e+54,'s^-1'), n=-10.97, Ea=(436999,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.51e+49,'s^-1'), n=-9.45, Ea=(425346,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.27e+43,'s^-1'), n=-7.58, Ea=(410593,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.04e+39,'s^-1'), n=-6.31, Ea=(400361,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.6e+35,'s^-1'), n=-5.2, Ea=(391240,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.21e+31,'s^-1'), n=-4.01, Ea=(381238,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 951, + label = "N-C7H16 <=> C7H15 + H", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.01,0.1,1,2,5,10,20,50],'atm'), arrhenius=[Arrhenius(A=(1.12e+104,'s^-1'), n=-27.26, Ea=(562159,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.21e+112,'s^-1'), n=-29.16, Ea=(591710,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.82e+118,'s^-1'), n=-30.48, Ea=(624137,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.58e+118,'s^-1'), n=-30.39, Ea=(630024,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.04e+117,'s^-1'), n=-29.83, Ea=(633387,'J/mol'), T0=(1,'K')), Arrhenius(A=(6.16e+114,'s^-1'), n=-29.08, Ea=(632439,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.15e+111,'s^-1'), n=-28.11, Ea=(628729,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.42e+106,'s^-1'), n=-26.58, Ea=(620472,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 952, + label = "N-C7H16 + H <=> C7H15 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.6e+06,'cm^3/(mol*s)'), n=2.4, Ea=(18680.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 953, + label = "N-C7H16 + O <=> C7H15 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.62e+13,'cm^3/(mol*s)'), n=0, Ea=(21726.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 954, + label = "N-C7H16 + OH <=> C7H15 + H2O", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(1.41e+10,'cm^3/(mol*s)'), n=0.935, Ea=(2108.55,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.144e+07,'cm^3/(mol*s)'), n=1.811, Ea=(-4242.88,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 955, + label = "N-C7H16 + O2 <=> C7H15 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.8e+13,'cm^3/(mol*s)'), n=0, Ea=(209575,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 956, + label = "N-C7H16 + HO2 <=> C7H15 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1260,'cm^3/(mol*s)'), n=3.4, Ea=(57324.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 957, + label = "N-C7H16 + CH3 <=> C7H15 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(168000,'cm^3/(mol*s)'), n=2.1, Ea=(31644.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 958, + label = "N-C7H16 + C2H3 <=> C7H15 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+11,'cm^3/(mol*s)'), n=0, Ea=(70192.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 959, + label = "N-C7H16 + C2H5 <=> C7H15 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(43452.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 960, + label = "tC4H9 + iC4H9 <=> I-C8H18", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.59e+14,'cm^3/(mol*s)'), n=-0.75, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 961, + label = "iC5H11 + iC3H7 <=> I-C8H18", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.59e+14,'cm^3/(mol*s)'), n=-0.75, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 962, + label = "I-C8H18 <=> p-iC8H17 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.748e+17,'s^-1'), n=-0.36, Ea=(422827,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 963, + label = "I-C8H18 <=> s-iC8H17 + H", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(1.146e+19,'s^-1'), n=-0.94, Ea=(398719,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.299e+18,'s^-1'), n=-0.72, Ea=(412507,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 964, + label = "I-C8H18 + H <=> p-iC8H17 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.998e+06,'cm^3/(mol*s)'), n=2.54, Ea=(28227.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 965, + label = "I-C8H18 + H <=> s-iC8H17 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(602000,'cm^3/(mol*s)'), n=2.4, Ea=(10792.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 966, + label = "I-C8H18 + O <=> p-iC8H17 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.943e+06,'cm^3/(mol*s)'), n=2.43, Ea=(19846.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 967, + label = "I-C8H18 + O <=> s-iC8H17 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(383000,'cm^3/(mol*s)'), n=2.41, Ea=(4763.03,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 968, + label = "I-C8H18 + OH <=> p-iC8H17 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.93e+07,'cm^3/(mol*s)'), n=1.76, Ea=(3104.96,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 969, + label = "I-C8H18 + OH <=> s-iC8H17 + H2O", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(36.14,'cm^3/(mol*s)'), n=3.5, Ea=(-9754.79,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.409e+09,'cm^3/(mol*s)'), n=1, Ea=(-41.5724,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 970, + label = "I-C8H18 + HO2 <=> p-iC8H17 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(61.2,'cm^3/(mol*s)'), n=3.59, Ea=(71696.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 971, + label = "I-C8H18 + HO2 <=> s-iC8H17 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(433.2,'cm^3/(mol*s)'), n=3.01, Ea=(50513.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 972, + label = "I-C8H18 + O2 <=> p-iC8H17 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(218474,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 973, + label = "I-C8H18 + O2 <=> s-iC8H17 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(201386,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 974, + label = "I-C8H18 + CH3 <=> p-iC8H17 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.359,'cm^3/(mol*s)'), n=3.65, Ea=(29890.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 975, + label = "I-C8H18 + CH3 <=> s-iC8H17 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.01e-10,'cm^3/(mol*s)'), n=6.36, Ea=(3731.04,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 976, + label = "I-C8H18 + CH3O <=> p-iC8H17 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.507e+11,'cm^3/(mol*s)'), n=0, Ea=(26982.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 977, + label = "I-C8H18 + CH3O <=> s-iC8H17 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.45e+11,'cm^3/(mol*s)'), n=0, Ea=(19098.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 978, + label = "I-C8H18 + C2H5 <=> p-iC8H17 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(55986.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 979, + label = "I-C8H18 + C2H5 <=> s-iC8H17 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(33007.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 980, + label = "I-C8H18 + C2H3 <=> p-iC8H17 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+12,'cm^3/(mol*s)'), n=0, Ea=(75206.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 981, + label = "I-C8H18 + C2H3 <=> s-iC8H17 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(59747.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 982, + label = "s-iC8H17 <=> iC7H14 + CH3", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(0.417,'s^-1'), n=3.5, Ea=(82881.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(6.95e+13,'s^-1'), n=-0.59, Ea=(115028,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.04e+21,'s^-1'), n=-2.73, Ea=(134916,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.01e+21,'s^-1'), n=-2.52, Ea=(137915,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.05e+16,'s^-1'), n=-1.03, Ea=(130370,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 983, + label = "s-iC8H17 <=> iC4H8 + tC4H9", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(1610,'s^-1'), n=2.4, Ea=(77904.9,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.36e+16,'s^-1'), n=-1.34, Ea=(108623,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.77e+22,'s^-1'), n=-3.06, Ea=(126000,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.38e+21,'s^-1'), n=-2.49, Ea=(126580,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.23e+16,'s^-1'), n=-0.94, Ea=(118534,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 984, + label = "s-iC8H17 <=> iC8H16 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(23020,'s^-1'), n=1.061, Ea=(145498,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 985, + label = "s-iC8H17 + O2 <=> iC8H16 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.34e+11,'cm^3/(mol*s)'), n=0, Ea=(10445.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 986, + label = "p-iC8H17 <=> iC4H8 + iC4H9", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(0.000971,'s^-1'), n=4.4, Ea=(79726.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.72e+15,'s^-1'), n=-1.01, Ea=(120000,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.47e+25,'s^-1'), n=-3.85, Ea=(144952,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.66e+25,'s^-1'), n=-3.57, Ea=(147793,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.99e+19,'s^-1'), n=-1.87, Ea=(138889,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 987, + label = "p-iC8H17 <=> iC3H7 + iC5H10", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(0.000971,'s^-1'), n=4.4, Ea=(79726.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.72e+15,'s^-1'), n=-1.01, Ea=(120000,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.47e+25,'s^-1'), n=-3.85, Ea=(144952,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.66e+25,'s^-1'), n=-3.57, Ea=(147793,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.99e+19,'s^-1'), n=-1.87, Ea=(138889,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 988, + label = "p-iC8H17 <=> iC5H11 + C3H6", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(0.000971,'s^-1'), n=4.4, Ea=(79726.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.72e+15,'s^-1'), n=-1.01, Ea=(120000,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.47e+25,'s^-1'), n=-3.85, Ea=(144952,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.66e+25,'s^-1'), n=-3.57, Ea=(147793,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.99e+19,'s^-1'), n=-1.87, Ea=(138889,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 989, + label = "p-iC8H17 <=> iC4H8 + tC4H9", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(0.000971,'s^-1'), n=4.4, Ea=(79726.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.72e+15,'s^-1'), n=-1.01, Ea=(120000,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.47e+25,'s^-1'), n=-3.85, Ea=(144952,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.66e+25,'s^-1'), n=-3.57, Ea=(147793,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.99e+19,'s^-1'), n=-1.87, Ea=(138889,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 990, + label = "p-iC8H17 <=> iC7H14 + CH3", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(0.00224,'s^-1'), n=4.1, Ea=(78595,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.72e+15,'s^-1'), n=-1.11, Ea=(117639,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.84e+24,'s^-1'), n=-3.76, Ea=(141162,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.73e+24,'s^-1'), n=-3.42, Ea=(143444,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.09e+18,'s^-1'), n=-1.76, Ea=(134724,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 991, + label = "p-iC8H17 <=> s-iC8H17", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(12,'s^-1'), n=2.59, Ea=(49923.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.48e+10,'s^-1'), n=-0.09, Ea=(72002.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.02e+14,'s^-1'), n=-1.01, Ea=(82060.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.82e+11,'s^-1'), n=-0.27, Ea=(79952,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.56e+07,'s^-1'), n=1.07, Ea=(72592.8,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 992, + label = "p-iC8H17 + O2 <=> iC8H16 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=0, Ea=(212077,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 993, + label = "iC8H16 <=> iC7H13 + CH3", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([4,10,15,30],'atm'), arrhenius=[Arrhenius(A=(7.05e+64,'s^-1'), n=-14.79, Ea=(418235,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.09e+56,'s^-1'), n=-11.79, Ea=(780579,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.06e+52,'s^-1'), n=-10.51, Ea=(757872,'J/mol'), T0=(1,'K')), Arrhenius(A=(6.09e+44,'s^-1'), n=-8.42, Ea=(720599,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 994, + label = "iC8H16 + H <=> iC4H8 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(10445.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 995, + label = "iC8H16 + O <=> iC8H15 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.7e+13,'cm^3/(mol*s)'), n=0, Ea=(16294.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 996, + label = "iC8H16 + H <=> iC8H15 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.7e+13,'cm^3/(mol*s)'), n=0, Ea=(16294.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 997, + label = "iC8H16 + OH <=> iC8H15 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.7e+13,'cm^3/(mol*s)'), n=0, Ea=(16294.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 998, + label = "iC8H16 + CH3 <=> iC8H15 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(30500,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 999, + label = "iC8H16 + HO2 <=> iC8H15 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e-19,'cm^3/(mol*s)'), n=0, Ea=(73117.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1000, + label = "iC8H16 + O => iC6H12 + C2H3 + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(-4387.05,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1001, + label = "iC8H16 + O => iC5H10 + C3H5 + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(-4387.05,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1002, + label = "iC8H16 + O => iC6H11 + C2H4 + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(-4387.05,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1003, + label = "iC8H16 + OH => iC6H12 + C2H3 + H2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(-16712.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1004, + label = "iC8H16 + OH => iC5H10 + C3H5 + H2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(-16712.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1005, + label = "iC8H16 + OH => iC6H11 + C2H4 + H2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(-16712.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1006, + label = "iC8H15 <=> iC4H7 + iC4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.986e+24,'s^-1'), n=-3, Ea=(223948,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1007, + label = "iC8H15 <=> C3H5 + iC4H7 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.986e+24,'s^-1'), n=-3, Ea=(223948,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1008, + label = "iC7H14 => iC4H7 + iC3H7", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.211e+24,'s^-1'), n=-2.39, Ea=(311981,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1009, + label = "iC7H14 => iC6H11 + CH3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.469e+22,'s^-1'), n=-2.13, Ea=(315156,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1010, + label = "iC7H14 + H <=> iC7H13 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(16213.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1011, + label = "iC7H14 + OH <=> iC7H13 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(5113.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1012, + label = "iC7H14 + O <=> iC7H13 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(16628.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1013, + label = "iC7H14 + CH3 <=> iC7H13 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(30514.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1014, + label = "iC7H13 => C3H4 + C3H5 + H + CH3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(8.986e+24,'s^-1'), n=-3, Ea=(223948,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1015, + label = "iC7H13 => C3H3 + tC4H9 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(8.986e+24,'s^-1'), n=-3, Ea=(223948,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1016, + label = "iC7H13 => iC4H7 + C3H5 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(8.986e+24,'s^-1'), n=-3, Ea=(223948,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1017, + label = "iC7H15 <=> iC4H9 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.429e+20,'s^-1'), n=-2.22, Ea=(135455,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1018, + label = "iC7H15 <=> iC4H8 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.49e+12,'s^-1'), n=-0.13, Ea=(109086,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1019, + label = "iC7H15 <=> iC7H14 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.75e+12,'s^-1'), n=0.69, Ea=(143732,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1020, + label = "iC7H15 <=> iC6H12 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.009e+19,'s^-1'), n=-1.8, Ea=(139257,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1021, + label = "C8H16 <=> pC4H9 + nC4H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1022, + label = "C8H16 <=> C3H5 + C5H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1023, + label = "C8H16 <=> CH3 + C7H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1024, + label = "C8H16 + OH => C4H8 + nC4H7 + H2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+09,'cm^3/(mol*s)'), n=1.25, Ea=(2494.34,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1025, + label = "C8H16 + OH <=> C7H15 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1026, + label = "C8H16 + OH <=> nC8H15 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(5113.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1027, + label = "C8H16 + H <=> nC8H15 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(15381.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1028, + label = "C8H16 + O <=> nC8H15 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(16628.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1029, + label = "C8H16 + CH3 <=> nC8H15 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(30347.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1030, + label = "C8H16 + HO2 <=> nC8H15 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(71088.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1031, + label = "C8H16 + O2 <=> nC8H15 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(167121,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1032, + label = "C8H16 <=> C2H3 + C6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1033, + label = "C8H16 <=> nC3H7 + C5H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1034, + label = "C8H16 <=> nC8H15 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+17,'s^-1'), n=0, Ea=(415724,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1035, + label = "nC8H17 <=> C2H4 + C6H13", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(9.12e+11,'s^-1'), n=0.31, Ea=(113963,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.8e-57,'cm^3/(mol*s)'), n=23.46, Ea=(-2520.12,'J/mol'), T0=(1,'K')), alpha=-2.46, T3=(206,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1036, + label = "nC8H17 + H <=> C6H13 + C2H5", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10],'atm'), arrhenius=[Arrhenius(A=(3.4e+18,'cm^3/(mol*s)'), n=-1.33, Ea=(22534.7,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.7e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(52321.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.1e+27,'cm^3/(mol*s)'), n=-3.59, Ea=(79743.3,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1037, + label = "nC8H17 + H <=> C8H16 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1038, + label = "nC8H17 + O <=> C7H15 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1039, + label = "nC8H17 + OH <=> C8H16 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1040, + label = "nC8H17 + O2 <=> C8H16 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1041, + label = "nC8H17 + HO2 <=> C7H15 + OH + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1042, + label = "nC8H17 + CH3 <=> C8H16 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1043, + label = "nC8H17 + CH3 <=> N-C9H20", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.93e+14,'cm^3/(mol*s)'), n=-0.32, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1044, + label = "C7H15 + C2H5 <=> N-C9H20", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.88e+14,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1045, + label = "C6H13 + nC3H7 <=> N-C9H20", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.88e+14,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1046, + label = "C5H11 + pC4H9 <=> N-C9H20", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.88e+14,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1047, + label = "pC9H19 + H <=> N-C9H20", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.01e+48,'cm^6/(mol^2*s)'), n=-9.32, Ea=(24416.3,'J/mol'), T0=(1,'K')), alpha=0.498, T3=(1314,'K'), T1=(1314,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1048, + label = "sC9H19 + H <=> N-C9H20", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.7e+58,'cm^6/(mol^2*s)'), n=-12.08, Ea=(47127.3,'J/mol'), T0=(1,'K')), alpha=0.649, T3=(1213.1,'K'), T1=(1213.1,'K'), T2=(13369.7,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1049, + label = "N-C9H20 + OH <=> pC9H19 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.73e+07,'cm^3/(mol*s)'), n=1.81, Ea=(3632.59,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1050, + label = "N-C9H20 + O2 <=> pC9H19 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(213092,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1051, + label = "N-C9H20 + HO2 <=> pC9H19 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(61100,'cm^3/(mol*s)'), n=2.65, Ea=(73203.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1052, + label = "N-C9H20 + H <=> pC9H19 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0645,'cm^3/(mol*s)'), n=4.7, Ea=(15392.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1053, + label = "N-C9H20 + O <=> pC9H19 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.49,'cm^3/(mol*s)'), n=4.17, Ea=(11572.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1054, + label = "N-C9H20 + CH3 <=> pC9H19 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.16e-08,'cm^3/(mol*s)'), n=6.08, Ea=(26036.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1055, + label = "N-C9H20 + OH <=> sC9H19 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.41e+10,'cm^3/(mol*s)'), n=0.94, Ea=(2111.63,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1056, + label = "N-C9H20 + O2 <=> sC9H19 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+13,'cm^3/(mol*s)'), n=0, Ea=(199117,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1057, + label = "N-C9H20 + HO2 <=> sC9H19 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(14200,'cm^3/(mol*s)'), n=2.77, Ea=(62396,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1058, + label = "N-C9H20 + H <=> sC9H19 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0634,'cm^3/(mol*s)'), n=4.65, Ea=(5606.45,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1059, + label = "N-C9H20 + O <=> sC9H19 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(36.5,'cm^3/(mol*s)'), n=3.75, Ea=(3452.17,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1060, + label = "N-C9H20 + CH3 <=> sC9H19 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.82e-07,'cm^3/(mol*s)'), n=5.89, Ea=(19948.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1061, + label = "pC9H19 <=> C2H4 + C7H15", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(9.12e+11,'s^-1'), n=0.31, Ea=(113963,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.8e-57,'cm^3/(mol*s)'), n=23.46, Ea=(-2520.12,'J/mol'), T0=(1,'K')), alpha=-2.46, T3=(206,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1062, + label = "pC9H19 + H <=> C7H15 + C2H5", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10],'atm'), arrhenius=[Arrhenius(A=(3.4e+18,'cm^3/(mol*s)'), n=-1.33, Ea=(22534.7,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.7e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(52321.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.1e+27,'cm^3/(mol*s)'), n=-3.59, Ea=(79743.3,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1063, + label = "pC9H19 + H <=> nC9H18 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1064, + label = "pC9H19 + O <=> nC8H17 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1065, + label = "pC9H19 + OH <=> nC9H18 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1066, + label = "pC9H19 + HO2 <=> nC8H17 + OH + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1067, + label = "pC9H19 + HCO <=> N-C9H20 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1068, + label = "pC9H19 + CH3 <=> nC9H18 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1069, + label = "pC9H19 + O2 <=> nC9H18 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1070, + label = "sC9H19 <=> pC9H19", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(3.56e+10,'s^-1'), n=0.88, Ea=(162947,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.8e+10,'s^-1'), n=0.67, Ea=(156680,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1071, + label = "sC9H19 <=> C3H6 + C6H13", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(6.03e+10,'s^-1'), n=0.84, Ea=(116399,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1e-43,'cm^3/(mol*s)'), n=18.591, Ea=(-2520.95,'J/mol'), T0=(1,'K')), alpha=-43.32, T3=(200,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1072, + label = "sC9H19 <=> C5H11 + C4H8", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.04e+13,'s^-1'), n=0.04, Ea=(119050,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3e-43,'cm^3/(mol*s)'), n=18.43, Ea=(-2518.45,'J/mol'), T0=(1,'K')), alpha=-34.47, T3=(208,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1073, + label = "sC9H19 <=> C8H16 + CH3", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(9.55e+09,'s^-1'), n=1.08, Ea=(122786,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(5.3e-46,'cm^3/(mol*s)'), n=19.133, Ea=(-2518.45,'J/mol'), T0=(1,'K')), alpha=-34.36, T3=(210,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1074, + label = "sC9H19 <=> pC4H9 + C5H10", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(5.5e+11,'s^-1'), n=0.55, Ea=(117340,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.1e-43,'cm^3/(mol*s)'), n=18.42, Ea=(-2519.29,'J/mol'), T0=(1,'K')), alpha=-32.13, T3=(207,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1075, + label = "sC9H19 <=> C7H14 + C2H5", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(6.76e+09,'s^-1'), n=1.11, Ea=(112906,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(8.2e-43,'cm^3/(mol*s)'), n=18.28, Ea=(-2519.29,'J/mol'), T0=(1,'K')), alpha=-30.04, T3=(210,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1076, + label = "sC9H19 <=> nC3H7 + C6H12", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1.1e+12,'s^-1'), n=0.55, Ea=(117340,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.2e-43,'cm^3/(mol*s)'), n=18.42, Ea=(-2519.29,'J/mol'), T0=(1,'K')), alpha=-32.13, T3=(207,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1077, + label = "sC9H19 + H <=> C7H15 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+28,'cm^3/(mol*s)'), n=-3.94, Ea=(66592.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1078, + label = "sC9H19 + H <=> nC9H18 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1079, + label = "sC9H19 + O <=> CH3CHO + C7H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1080, + label = "sC9H19 + OH <=> nC9H18 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1081, + label = "sC9H19 + HO2 <=> CH3CHO + C7H15 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1082, + label = "sC9H19 + HCO <=> N-C9H20 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1083, + label = "sC9H19 + CH3 <=> CH4 + nC9H18", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+14,'cm^3/(mol*s)'), n=-0.68, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1084, + label = "sC9H19 + O2 <=> nC9H18 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.2e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1085, + label = "nC9H18 <=> C6H13 + C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.07e+23,'s^-1'), n=-2.03, Ea=(313624,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1086, + label = "nC9H18 <=> C6H12 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.08e+06,'s^-1'), n=1.65, Ea=(224899,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1087, + label = "nC9H17 + H <=> nC9H18", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.01e+48,'cm^6/(mol^2*s)'), n=-9.32, Ea=(24408,'J/mol'), T0=(1,'K')), alpha=0.498, T3=(1314,'K'), T1=(1314,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1088, + label = "nC9H18 + H <=> C2H4 + C7H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+21,'cm^3/(mol*s)'), n=-2.39, Ea=(46777.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1089, + label = "nC9H18 + H <=> C3H6 + C6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+22,'cm^3/(mol*s)'), n=-2.39, Ea=(46777.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1090, + label = "nC9H18 + H <=> nC9H17 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0323,'cm^3/(mol*s)'), n=4.7, Ea=(15392.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1091, + label = "nC9H18 + O <=> nC8H17 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+08,'cm^3/(mol*s)'), n=1.45, Ea=(-1682.02,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1092, + label = "nC9H18 + O <=> nC9H17 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.745,'cm^3/(mol*s)'), n=4.17, Ea=(11573.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1093, + label = "nC9H18 + OH <=> nC9H17 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(700,'cm^3/(mol*s)'), n=2.66, Ea=(2205,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1094, + label = "nC9H18 + O2 <=> nC9H17 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(213092,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1095, + label = "nC9H18 + HO2 <=> nC9H17 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(59998.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1096, + label = "nC9H18 + CH3 <=> nC9H17 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.58e-08,'cm^3/(mol*s)'), n=6.08, Ea=(26036.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1097, + label = "nC9H17 + HCO <=> nC9H18 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1098, + label = "nC9H17 + H <=> CH3 + nC8H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+21,'cm^3/(mol*s)'), n=-2, Ea=(46023.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1099, + label = "C2H4 + C7H13 <=> nC9H17", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(30543.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1100, + label = "nC9H17 + HO2 <=> CH2O + OH + nC8H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1101, + label = "N-C10H22 <=> C5H11 + C5H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1102, + label = "N-C10H22 <=> C7H15 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1103, + label = "N-C10H22 <=> C6H13 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1104, + label = "N-C10H22 + H <=> pC10H21 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.6e+07,'cm^3/(mol*s)'), n=2, Ea=(32193.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1105, + label = "N-C10H22 + OH <=> pC10H21 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.04e+10,'cm^3/(mol*s)'), n=0.97, Ea=(6651.58,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1106, + label = "N-C10H22 + O <=> pC10H21 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.35e+06,'cm^3/(mol*s)'), n=2.4, Ea=(23001.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1107, + label = "N-C10H22 + HO2 <=> pC10H21 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e+13,'cm^3/(mol*s)'), n=0, Ea=(81093.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1108, + label = "N-C10H22 + H <=> sC10H21 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.83e+07,'cm^3/(mol*s)'), n=2, Ea=(20902.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1109, + label = "N-C10H22 + OH <=> sC10H21 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.38e+07,'cm^3/(mol*s)'), n=1.6, Ea=(-169.615,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1110, + label = "N-C10H22 + O <=> sC10H21 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(620000,'cm^3/(mol*s)'), n=2.5, Ea=(9320.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1111, + label = "N-C10H22 + HO2 <=> sC10H21 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.79e+12,'cm^3/(mol*s)'), n=0, Ea=(71063.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1112, + label = "N-C10H22 + CH3 <=> sC10H21 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.98e+11,'cm^3/(mol*s)'), n=0, Ea=(39709.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1113, + label = "N-C10H22 + O2 <=> pC10H21 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(213092,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1114, + label = "N-C10H22 + O2 <=> sC10H21 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+13,'cm^3/(mol*s)'), n=0, Ea=(199117,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1115, + label = "pC10H21 <=> nC8H17 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+13,'s^-1'), n=0, Ea=(120410,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1116, + label = "pC10H21 + O2 <=> nC10H20 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(8356.04,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1117, + label = "pC10H21 => sC10H21", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+11,'s^-1'), n=0, Ea=(46403.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1118, + label = "sC10H21 <=> C7H15 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1119, + label = "sC10H21 <=> C6H13 + C4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1120, + label = "sC10H21 <=> C5H10 + C5H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1121, + label = "sC10H21 <=> C8H16 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1122, + label = "sC10H21 <=> C7H14 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1123, + label = "sC10H21 <=> C6H12 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1124, + label = "sC10H21 + O2 <=> nC10H20 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(17768,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1125, + label = "nC10H20 <=> C5H10 + C5H10", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1126, + label = "nC10H20 <=> C4H8 + C6H12", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1127, + label = "nC10H20 <=> C8H16 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1128, + label = "nC10H20 <=> C7H15 + C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1129, + label = "pC12H25 + H <=> N-C12H26", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.01e+48,'cm^6/(mol^2*s)'), n=-9.32, Ea=(24373.9,'J/mol'), T0=(1,'K')), alpha=0.498, T3=(1314,'K'), T1=(1314,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1130, + label = "N-C12H26 <=> sC10H21 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1131, + label = "N-C12H26 <=> pC9H19 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1132, + label = "N-C12H26 <=> nC8H17 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1133, + label = "N-C12H26 <=> C7H15 + C5H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1134, + label = "C6H13 + C6H13 <=> N-C12H26", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.4e+14,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1135, + label = "pC9H19 + C2H4 + CH3 <=> N-C12H26", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.93e+14,'cm^6/(mol^2*s)'), n=-0.32, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1136, + label = "N-C12H26 + H <=> pC12H25 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.6e+07,'cm^3/(mol*s)'), n=2, Ea=(32193.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1137, + label = "N-C12H26 + OH <=> pC12H25 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.04e+10,'cm^3/(mol*s)'), n=0.97, Ea=(6651.58,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1138, + label = "N-C12H26 + O <=> pC12H25 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.35e+06,'cm^3/(mol*s)'), n=2.4, Ea=(23001.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1139, + label = "N-C12H26 + HO2 <=> pC12H25 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e+13,'cm^3/(mol*s)'), n=0, Ea=(81093.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1140, + label = "N-C12H26 + H <=> sC12H25 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.83e+07,'cm^3/(mol*s)'), n=2, Ea=(20902.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1141, + label = "N-C12H26 + OH <=> sC12H25 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.38e+07,'cm^3/(mol*s)'), n=1.6, Ea=(-169.615,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1142, + label = "N-C12H26 + O <=> sC12H25 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(620000,'cm^3/(mol*s)'), n=2.5, Ea=(9320.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1143, + label = "N-C12H26 + HO2 <=> sC12H25 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.79e+12,'cm^3/(mol*s)'), n=0, Ea=(71063.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1144, + label = "N-C12H26 + CH3 <=> sC12H25 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.98e+11,'cm^3/(mol*s)'), n=0, Ea=(39709.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1145, + label = "N-C12H26 + O2 <=> pC12H25 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(213092,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1146, + label = "N-C12H26 + O2 <=> sC12H25 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+13,'cm^3/(mol*s)'), n=0, Ea=(199117,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1147, + label = "pC12H25 <=> pC10H21 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+13,'s^-1'), n=0, Ea=(120410,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1148, + label = "pC12H25 <=> sC12H25", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.95,'s^-1'), n=3.08, Ea=(46025.6,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.9e-34,'cm^3/(mol*s)'), n=15.85, Ea=(-2532.59,'J/mol'), T0=(1,'K')), alpha=-15.24, T3=(216,'K'), T1=(28,'K'), T2=(5e+06,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1149, + label = "sC12H25 <=> pC10H21 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1150, + label = "sC12H25 <=> nC10H20 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1151, + label = "sC12H25 <=> sC9H19 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1152, + label = "sC12H25 <=> nC9H18 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1153, + label = "sC12H25 <=> nC8H17 + C4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1154, + label = "sC12H25 <=> C8H16 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.4e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1155, + label = "sC12H25 <=> N-C7H16 + C5H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+12,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1156, + label = "sC12H25 <=> C7H15 + C5H10", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1157, + label = "sC12H25 <=> C7H14 + C5H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1158, + label = "sC12H25 <=> N-C6H14 + C6H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+12,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1159, + label = "sC12H25 <=> C6H12 + C6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1160, + label = "sC12H25 + O2 <=> nC12H24 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(17768,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1161, + label = "nC12H24 <=> nC4H7 + nC8H17", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1162, + label = "nC12H24 <=> C6H11 + C6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1163, + label = "nC12H24 <=> C5H9 + C7H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1164, + label = "nC12H24 <=> nC9H18 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1165, + label = "nC12H24 <=> pC9H19 + C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.07e+23,'s^-1'), n=-2.03, Ea=(313184,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1166, + label = "nC12H24 + H <=> nC12H23 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(16213.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1167, + label = "nC12H24 + H <=> C3H6 + pC9H19", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+22,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1168, + label = "nC12H24 + H <=> C2H4 + pC10H21", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+21,'cm^3/(mol*s)'), n=-2.39, Ea=(46711.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1169, + label = "nC12H24 + CH3 <=> nC12H23 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(30347.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1170, + label = "nC12H24 + C2H5 <=> nC12H23 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(33257.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1171, + label = "nC12H24 + O <=> nC12H23 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+08,'cm^3/(mol*s)'), n=1.45, Ea=(-1679.61,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1172, + label = "nC12H24 + OH <=> nC12H23 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(5113.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1173, + label = "nC12H24 + HO2 <=> nC12H23 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(71088.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1174, + label = "nC12H24 + O2 <=> nC12H23 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(167121,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1175, + label = "nC12H23 <=> C6H10 + C6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'s^-1'), n=0, Ea=(187076,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1176, + label = "nC12H23 <=> nC8H17 + C4H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'s^-1'), n=0, Ea=(187076,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1177, + label = "nC12H23 <=> C7H15 + C5H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'s^-1'), n=0, Ea=(187076,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1178, + label = "C16H33 + H <=> N-C16H34", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.01e+48,'cm^6/(mol^2*s)'), n=-9.32, Ea=(24373.9,'J/mol'), T0=(1,'K')), alpha=0.498, T3=(1314,'K'), T1=(1314,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1179, + label = "N-C16H34 <=> pC12H25 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1180, + label = "N-C16H34 <=> pC10H21 + C6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1181, + label = "N-C16H34 <=> pC9H19 + C7H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+16,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1182, + label = "N-C16H34 <=> nC8H17 + nC8H17", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+15,'s^-1'), n=0, Ea=(339023,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1183, + label = "N-C16H34 + H <=> C16H33 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.83e+07,'cm^3/(mol*s)'), n=2, Ea=(20902.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1184, + label = "N-C16H34 + OH <=> C16H33 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.38e+07,'cm^3/(mol*s)'), n=1.6, Ea=(-169.615,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1185, + label = "N-C16H34 + O <=> C16H33 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(620000,'cm^3/(mol*s)'), n=2.5, Ea=(9320.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1186, + label = "N-C16H34 + HO2 <=> C16H33 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.79e+12,'cm^3/(mol*s)'), n=0, Ea=(71063.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1187, + label = "N-C16H34 + CH3 <=> C16H33 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.98e+11,'cm^3/(mol*s)'), n=0, Ea=(39709.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1188, + label = "C16H33 <=> pC4H9 + nC12H24", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1189, + label = "C16H33 <=> C6H13 + nC10H20", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1190, + label = "C16H33 <=> C7H15 + nC9H18", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1191, + label = "C16H33 <=> nC8H17 + C8H16", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1192, + label = "C16H33 <=> pC9H19 + C7H14", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1193, + label = "C16H33 <=> pC10H21 + C6H12", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1194, + label = "C16H33 <=> pC12H25 + C4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0, Ea=(118315,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1195, + label = "C16H33 + O2 <=> C16H32 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(17768,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1196, + label = "C16H32 <=> nC12H24 + C4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1197, + label = "C16H32 <=> nC10H20 + C6H12", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1198, + label = "C16H32 <=> nC9H18 + C7H14", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1199, + label = "C16H32 <=> C8H16 + C8H16", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(295164,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1200, + label = "cyC6H12 => C2H4 + C2H4 + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4e+12,'s^-1'), n=0, Ea=(239824,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1201, + label = "cyC6H12 <=> C3H6 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'s^-1'), n=0, Ea=(239823,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1202, + label = "cyC6H12 <=> C4H8 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'s^-1'), n=0, Ea=(239824,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1203, + label = "cyC6H11 + H <=> cyC6H12", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1204, + label = "cyC6H12 <=> C6H12", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.83e+13,'s^-1'), n=0, Ea=(286202,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1205, + label = "cyC6H12 + H <=> cyC6H11 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+14,'cm^3/(mol*s)'), n=0, Ea=(34983.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1206, + label = "cyC6H12 + OH <=> cyC6H11 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.08e+07,'cm^3/(mol*s)'), n=2, Ea=(-4733.82,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1207, + label = "cyC6H12 + O <=> cyC6H11 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.54e+14,'cm^3/(mol*s)'), n=0, Ea=(18789,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1208, + label = "cyC6H12 + HO2 <=> cyC6H11 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(400000,'cm^3/(mol*s)'), n=2.5, Ea=(59109.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1209, + label = "cyC6H12 + CH3 <=> cyC6H11 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.35e+12,'cm^3/(mol*s)'), n=0, Ea=(39859.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1210, + label = "cyC6H12 + HCO <=> cyC6H11 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.35e+12,'cm^3/(mol*s)'), n=0, Ea=(39859.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1211, + label = "cyC6H12 + CH3O <=> cyC6H11 + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.32e+11,'cm^3/(mol*s)'), n=0, Ea=(18688.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1212, + label = "cyC6H12 + C3H5 <=> cyC6H11 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.05e+12,'cm^3/(mol*s)'), n=0, Ea=(39859.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1213, + label = "cyC6H12 + C2H3 <=> cyC6H11 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.35e+12,'cm^3/(mol*s)'), n=0, Ea=(39859.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1214, + label = "cyC6H12 + C2H5 <=> cyC6H11 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.35e+12,'cm^3/(mol*s)'), n=0, Ea=(39859.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1215, + label = "cyC6H12 + O2 <=> cyC6H11 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.68e+14,'cm^3/(mol*s)'), n=0, Ea=(201427,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1216, + label = "cyC6H11 <=> cyC6H10 + H", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(3.34e+11,'s^-1'), n=0.69, Ea=(141838,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3e-40,'cm^3/(mol*s)'), n=17.33, Ea=(-2518.15,'J/mol'), T0=(1,'K')), alpha=-19.22, T3=(230,'K'), T1=(28,'K'), T2=(50000,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1217, + label = "cyC6H11 <=> C6H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'s^-1'), n=0, Ea=(125341,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1218, + label = "cyC6H11 + O2 <=> cyC6H10 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+10,'cm^3/(mol*s)'), n=0, Ea=(-8356.29,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1219, + label = "cyC6H11 + OH <=> cyC6H10 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1220, + label = "cyC6H11 + HO2 => C5H9 + CH2O + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1221, + label = "cyC6H11 + HO2 <=> cyC6H10 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(8356.29,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1222, + label = "cyC6H11 + O <=> C5H9 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1223, + label = "cyC6H11 + O <=> cyC6H10 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.64e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1224, + label = "cyC6H11 + H <=> cyC6H10 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1225, + label = "cyC6H11 + HCO <=> cyC6H10 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1226, + label = "cyC6H11 + CH3 <=> cyC6H10 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1227, + label = "cyC6H11 + C2H3 <=> cyC6H10 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1228, + label = "cyC6H11 + C2H5 <=> cyC6H10 + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1229, + label = "cyC6H11 + C3H5 <=> cyC6H10 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1230, + label = "cyC6H10 + H <=> cyC6H9 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(230000,'cm^3/(mol*s)'), n=2.5, Ea=(10403.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1231, + label = "cyC6H10 + O <=> cyC6H9 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+11,'cm^3/(mol*s)'), n=0.7, Ea=(24567.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1232, + label = "cyC6H10 + OH <=> cyC6H9 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.14e+06,'cm^3/(mol*s)'), n=2, Ea=(-1245.08,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1233, + label = "cyC6H9 + HO2 <=> cyC6H10 + O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.66e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1234, + label = "cyC6H10 + CH3 <=> cyC6H9 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.94,'cm^3/(mol*s)'), n=3.5, Ea=(23710.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1235, + label = "cyC6H9 + H <=> cyC6H10", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.33e+60,'cm^6/(mol^2*s)'), n=-12, Ea=(24934.2,'J/mol'), T0=(1,'K')), alpha=0.02, T3=(1096.6,'K'), T1=(1096.6,'K'), T2=(6859.5,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1236, + label = "cyC6H9 + O2 <=> cyC6H8 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1237, + label = "cyC6H9 <=> cyC6H8 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.67e+12,'s^-1'), n=0.71, Ea=(208038,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1238, + label = "cyC6H9 + H <=> cyC6H8 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1239, + label = "cyC6H9 + CH3 <=> cyC6H8 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1240, + label = "cyC6H8 + H <=> cyC6H7 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(230000,'cm^3/(mol*s)'), n=2.5, Ea=(10403.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1241, + label = "cyC6H8 + O <=> cyC6H7 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+11,'cm^3/(mol*s)'), n=0.7, Ea=(24567.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1242, + label = "cyC6H8 + OH <=> cyC6H7 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.14e+06,'cm^3/(mol*s)'), n=2, Ea=(-1245.08,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1243, + label = "cyC6H7 + HO2 <=> cyC6H8 + O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.66e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1244, + label = "cyC6H7 + H <=> cyC6H8", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.33e+60,'cm^6/(mol^2*s)'), n=-12, Ea=(24934.2,'J/mol'), T0=(1,'K')), alpha=0.02, T3=(1096.6,'K'), T1=(1096.6,'K'), T2=(6859.5,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1245, + label = "cyC6H7 <=> H + A1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.8e+25,'s^-1'), n=-3.5, Ea=(139884,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1246, + label = "cyC6H7 + O2 <=> A1 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1247, + label = "cyC6H7 + O <=> A1 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1248, + label = "cyC6H7 + O <=> cyclopentadiene + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.256e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1249, + label = "cyC6H7 + H <=> A1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1250, + label = "cyC6H7 + OH <=> A1 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.02e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1251, + label = "cyC6H7 + HO2 <=> A1 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1252, + label = "cyC6H7 + HO2 => cyclopentadiene + HCO + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1253, + label = "cyC6H7 + CH3 <=> A1 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1254, + label = "cyC6H7 + C2H3 <=> A1 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1255, + label = "cyC5H8 <=> cyclopentadiene + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+16,'s^-1'), n=0, Ea=(249768,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1256, + label = "cyC5H8 + O2 <=> cyC5H7 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.28e+13,'cm^3/(mol*s)'), n=0, Ea=(104453,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1257, + label = "cyC5H8 + O <=> cyC5H7 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.78e+14,'cm^3/(mol*s)'), n=0, Ea=(10478.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1258, + label = "cyC5H8 + HO2 <=> cyC5H7 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+14,'cm^3/(mol*s)'), n=0, Ea=(71278.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1259, + label = "cyC5H7 + O2 <=> cyclopentadiene + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.01e+15,'cm^3/(mol*s)'), n=0, Ea=(55790.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1260, + label = "C5H8 + OH <=> CH2O + nC4H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1261, + label = "C5H8 + O <=> CH2O + C4H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1262, + label = "cyC6H10OH => CH2HCO + C2H4 + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(107378,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1263, + label = "cyC6H10OH => C2H3 + C2H4 + CH3CHO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(115734,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1264, + label = "C3H5 + HO2 <=> (Acrolein) + H + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+18,'cm^3/(mol*s)'), n=-2, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1265, + label = "cyC6H10 + O => (Acrolein) + H + C3H5", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(120000,'cm^3/(mol*s)'), n=2.56, Ea=(-4739.25,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1266, + label = "(Acrolein) + H => H2 + C2H3 + CO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(17460.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1267, + label = "(Acrolein) + OH <=> CO + C2H3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1268, + label = "C5H5 + H <=> cyclopentadiene", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(4.4e+80,'cm^6/(mol^2*s)'), n=-18.28, Ea=(54290.6,'J/mol'), T0=(1,'K')), alpha=0.068, T3=(400.7,'K'), T1=(4135.8,'K'), T2=(5501.9,'K'), efficiencies={'C': 2.0, 'O': 6.0, 'O=C=O': 2.0, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1269, + label = "C3H3 + C2H3 <=> C5H5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.6e+40,'cm^3/(mol*s)'), n=-7.8, Ea=(119812,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1270, + label = "C3H3 + C2H2 <=> C5H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.87e+55,'cm^3/(mol*s)'), n=-12.5, Ea=(175011,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1271, + label = "cyclopentadiene + H <=> C5H5 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.8e+13,'cm^3/(mol*s)'), n=0, Ea=(9453.55,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1272, + label = "C5H5 + O <=> C5H5O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e-12,'cm^3/(mol*s)'), n=5.87, Ea=(-72323.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1273, + label = "C5H5 + OH <=> C5H5O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.36e+51,'cm^3/(mol*s)'), n=-10.46, Ea=(238571,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1274, + label = "C5H5 + HO2 <=> C5H5O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.27e+29,'cm^3/(mol*s)'), n=-4.69, Ea=(48675.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1275, + label = "C5H5 + O2 <=> C5H5O + O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.78e+15,'cm^3/(mol*s)'), n=-0.73, Ea=(203642,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1276, + label = "C5H5O <=> C5H4O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1277, + label = "C5H5O + O2 <=> C5H4O + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1278, + label = "C5H5 + O2 <=> C5H4O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+12,'cm^3/(mol*s)'), n=0.08, Ea=(75206.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1279, + label = "C5H5 + O <=> C5H4O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.81e+13,'cm^3/(mol*s)'), n=-0.02, Ea=(83.5629,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1280, + label = "C5H4O <=> C2H2 + C2H2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.2e+41,'s^-1'), n=-7.87, Ea=(412381,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1281, + label = "C5H4O + H <=> CO + C4H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.3e+09,'cm^3/(mol*s)'), n=1.45, Ea=(16294.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1282, + label = "C5H4O + O <=> CO + HCO + C3H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.2e+08,'cm^3/(mol*s)'), n=1.45, Ea=(-3584.83,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1283, + label = "cyclopentadiene + H <=> C3H5 + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.6e+14,'cm^3/(mol*s)'), n=0, Ea=(51549.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1284, + label = "cyclopentadiene + OH <=> C5H5 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.43e+09,'cm^3/(mol*s)'), n=1.18, Ea=(-1870.76,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1285, + label = "cyclopentadiene + HO2 <=> C5H5 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(48781,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1286, + label = "cyclopentadiene + O2 <=> C5H5 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(155217,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1287, + label = "cyclopentadiene + CH3 <=> C5H5 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.1,'cm^3/(mol*s)'), n=4, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1288, + label = "cyclopentadiene + C2H3 <=> C5H5 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1289, + label = "cyclopentadiene + iC4H5 <=> C5H5 + C4H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+15,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1290, + label = "cyC6H11 + O2 <=> cyC6H11OO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+18,'cm^3/(mol*s)'), n=-2.5, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1291, + label = "cyC6H11OO <=> cyC6H10OOH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'s^-1'), n=0, Ea=(100593,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1292, + label = "cyC6H11OO <=> HO2 + cyC6H10", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+12,'s^-1'), n=0, Ea=(124926,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1293, + label = "cyC6H11OO + HO2 <=> cyC6H11OOH + O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6000,'cm^3/(mol*s)'), n=2.5, Ea=(59747.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1294, + label = "cyC6H11OO + cyC6H11OO => cyC6H11O + cyC6H11O + O2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.4e+16,'cm^3/(mol*s)'), n=-1.6, Ea=(7771.31,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1295, + label = "cyC6H10 + HO2 <=> cyC6H10OOH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(50137.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1296, + label = "cyC6H11 + O2 <=> cyC6H10OOH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.95e+13,'cm^3/(mol*s)'), n=0, Ea=(50471.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1297, + label = "cyC6H10OOH => OH + CO + C5H10", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.45e+12,'s^-1'), n=0, Ea=(75457,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1298, + label = "cyC6H10OOH + O2 <=> cyOOC6H10OOH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1299, + label = "cyC6H11OOH => OH + cyC6H11O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.26e+16,'s^-1'), n=0, Ea=(177571,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1300, + label = "cyC6H11OOH + HO2 <=> H2O2 + cyC6H11OO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6000,'cm^3/(mol*s)'), n=2.5, Ea=(59747.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1301, + label = "cyOOC6H10OOH <=> OH + cyOC6H9OOH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+16,'s^-1'), n=0, Ea=(177571,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1302, + label = "cyOOC6H10OOH => OH + cyC6H9O + HO2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+15,'s^-1'), n=0, Ea=(171303,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1303, + label = "cyOC6H9OOH => CH3CH2O + CH2HCO + CH2CO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+15,'s^-1'), n=0, Ea=(171303,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1304, + label = "cyC6H9O => C2H4 + C2H4 + HCCO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(7e+12,'s^-1'), n=0, Ea=(91500.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1305, + label = "cyC6H9O => C2H3 + C2H4 + CH2CO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(7e+12,'s^-1'), n=0, Ea=(91500.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1306, + label = "iC4H5 + CH3CHO <=> cyC6H9O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(49719.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1307, + label = "C5H9 + CO <=> cyC6H9O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(49719.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1308, + label = "cyC6H9O + HO2 <=> cyOC6H9OOH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1309, + label = "HO2 + cyC6H11 <=> cyC6H11O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+12,'cm^3/(mol*s)'), n=0, Ea=(-4178.13,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1310, + label = "cyC6H11O => CH2HCO + C2H4 + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(107378,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1311, + label = "cyC6H11O => C2H3 + C2H4 + CH3CHO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(115734,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1312, + label = "C5H9 + CH2O <=> cyC6H11O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(49719.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1313, + label = "cyC9H18 => C2H4 + C2H4 + C5H10", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6.5e+16,'s^-1'), n=0, Ea=(350963,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1314, + label = "cyC9H18 => C2H4 + nC3H7 + nC4H7", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.6e+17,'s^-1'), n=0, Ea=(350963,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1315, + label = "cyC9H18 <=> cyC6H11 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+17,'s^-1'), n=0, Ea=(350963,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1316, + label = "cyC9H18 <=> cyC7H13 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.5e+16,'s^-1'), n=0, Ea=(350963,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1317, + label = "cyC9H18 <=> cyC8H15 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.5e+16,'s^-1'), n=0, Ea=(355141,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1318, + label = "cyC9H18 + O2 => cyC9H17B + HO2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.4e+14,'cm^3/(mol*s)'), n=0, Ea=(207486,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1319, + label = "cyC9H18 + HO2 => cyC9H17B + H2O2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(34300,'cm^3/(mol*s)'), n=2.61, Ea=(58117.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1320, + label = "cyC9H18 + OH <=> cyC9H17B + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+07,'cm^3/(mol*s)'), n=1.85, Ea=(488.841,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1321, + label = "cyC9H18 + O <=> cyC9H17B + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.07e+10,'cm^3/(mol*s)'), n=1.55, Ea=(35865.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1322, + label = "cyC9H18 + H <=> cyC9H17B + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.7e+09,'cm^3/(mol*s)'), n=1.56, Ea=(43431.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1323, + label = "cyC9H18 + CH3 <=> cyC9H17B + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+08,'cm^3/(mol*s)'), n=1.55, Ea=(77161.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1324, + label = "cyC9H18 + C2H3 <=> cyC9H17B + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+08,'cm^3/(mol*s)'), n=1.55, Ea=(77161.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1325, + label = "cyC9H18 + C2H5 <=> cyC9H17B + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+08,'cm^3/(mol*s)'), n=1.55, Ea=(77161.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1326, + label = "cyC9H18 + HCO => cyC9H17B + CH2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.8e+08,'cm^3/(mol*s)'), n=1.55, Ea=(77161.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1327, + label = "cyC9H18 + CH3O <=> cyC9H17B + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+12,'cm^3/(mol*s)'), n=0, Ea=(18688.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1328, + label = "cyC9H18 + O2 => cyC9H17E + HO2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.09e+14,'cm^3/(mol*s)'), n=0, Ea=(206082,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1329, + label = "cyC9H18 + HO2 => cyC9H17E + H2O2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(130000,'cm^3/(mol*s)'), n=2.5, Ea=(60591.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1330, + label = "cyC9H18 + OH <=> cyC9H17E + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.08e+07,'cm^3/(mol*s)'), n=2, Ea=(-4733.82,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1331, + label = "cyC9H18 + O <=> cyC9H17E + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+06,'cm^3/(mol*s)'), n=2.6, Ea=(10708.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1332, + label = "cyC9H18 + H <=> cyC9H17E + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+14,'cm^3/(mol*s)'), n=0, Ea=(34983.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1333, + label = "cyC9H18 + CH3 <=> cyC9H17E + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.13e+12,'cm^3/(mol*s)'), n=0, Ea=(39859.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1334, + label = "cyC9H18 + C2H3 <=> cyC9H17E + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.13e+12,'cm^3/(mol*s)'), n=0, Ea=(39859.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1335, + label = "cyC9H18 + C2H5 <=> cyC9H17E + C2H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.13e+12,'cm^3/(mol*s)'), n=0, Ea=(39859.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1336, + label = "cyC9H18 + HCO => cyC9H17E + CH2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.13e+12,'cm^3/(mol*s)'), n=0, Ea=(39859.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1337, + label = "cyC9H18 + CH3O <=> cyC9H17E + CH3OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+12,'cm^3/(mol*s)'), n=0, Ea=(18688.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1338, + label = "cyC9H17E <=> cyC9H17B", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+11,'s^-1'), n=0, Ea=(67267.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1339, + label = "cyC9H17B => cyC6H11 + C3H6", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(175481,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1340, + label = "cyC9H17B => C2H4 + C2H4 + C5H9", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(175481,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1341, + label = "cyC9H17B <=> cyC8H14 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(188016,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1342, + label = "cyC9H17B <=> cyC7H13 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(175481,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1343, + label = "cyC9H17B <=> cyC7H12 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(175481,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1344, + label = "cyC9H17E => C4H6 + C2H4 + nC3H7", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(183838,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1345, + label = "cyC9H17E <=> nC4H7 + C5H10", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'s^-1'), n=0, Ea=(208906,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1346, + label = "cyC9H17E <=> cyC6H10 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'s^-1'), n=0, Ea=(165036,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1347, + label = "cyC9H17E <=> C6H10 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'s^-1'), n=0, Ea=(188016,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1348, + label = "cyC7H13 + O2 <=> cyC7H12 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(41781.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1349, + label = "cyC7H13 + H <=> cyC7H12 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1350, + label = "cyC7H13 + OH <=> cyC7H12 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1351, + label = "cyC7H13 + O <=> cyC7H12 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1352, + label = "cyC7H13 + CH3 <=> cyC7H12 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1353, + label = "cyC7H13 => C2H4 + C2H4 + C3H5", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(121166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1354, + label = "cyC7H12 => C4H6 + C3H6", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+16,'s^-1'), n=0, Ea=(296647,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1355, + label = "cyC8H15 <=> cyC6H11 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(121166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1356, + label = "cyC8H15 + O2 <=> cyC8H14 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(41781.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1357, + label = "cyC8H15 + H <=> cyC8H14 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1358, + label = "cyC8H15 + OH <=> cyC8H14 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1359, + label = "cyC8H15 + O <=> cyC8H14 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1360, + label = "cyC8H15 + CH3 <=> cyC8H14 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1361, + label = "cyC8H14 <=> C2H4 + C2H4 + C4H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+16,'s^-1'), n=0, Ea=(296647,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1362, + label = "C3H3 + C3H3 <=> A1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+36,'cm^3/(mol*s)'), n=-7.18, Ea=(35203.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1363, + label = "C3H3 + C3H3 <=> A1- + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+35,'cm^3/(mol*s)'), n=-7.18, Ea=(35203.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1364, + label = "C3H3 + C3H4 <=> A1 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+12,'cm^3/(mol*s)'), n=0, Ea=(41572.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1365, + label = "iC4H3 + C2H3 <=> A1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1366, + label = "iC4H3 + C2H3 <=> A1- + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1367, + label = "iC4H3 + C2H2 <=> A1-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(61942.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1368, + label = "C4H2 + H <=> iC4H3", + degeneracy = 1.0, + duplicate = True, + kinetics = Arrhenius(A=(1.1e+30,'cm^3/(mol*s)'), n=-4.92, Ea=(44898.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1369, + label = "C4H4 + C2H3 <=> A1 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.9e+12,'cm^3/(mol*s)'), n=0, Ea=(10393.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1370, + label = "C4H5 + C2H3 <=> A1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.84e-13,'cm^3/(mol*s)'), n=7.07, Ea=(-15087.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1371, + label = "C4H5 + C2H2 <=> A1 + H", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(2.38e+08,'cm^3/(mol*s)'), n=1.18, Ea=(15631.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(5e+11,'cm^3/(mol*s)'), n=0, Ea=(15460.8,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1372, + label = "iC4H5 + C2H4 => A1 + H + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(29250.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1373, + label = "iC4H5 + C2H2 <=> A1 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+16,'cm^3/(mol*s)'), n=-1.33, Ea=(22449.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1374, + label = "iC4H5 + C2H3 <=> A1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e-13,'cm^3/(mol*s)'), n=7.07, Ea=(-14966,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1375, + label = "iC4H5 + C2H <=> A1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1376, + label = "iC4H5 + C2H <=> A1- + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1377, + label = "C5H5 + CH3 <=> A1 + H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+18,'cm^3/(mol*s)'), n=0, Ea=(249434,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1378, + label = "cyclopentadiene + C2H3 <=> A1 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.12e+67,'cm^3/(mol*s)'), n=-16.08, Ea=(177265,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1379, + label = "A1 <=> A1- + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+14,'s^-1'), n=0, Ea=(449480,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1380, + label = "A1 + O <=> A1- + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(61527.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1381, + label = "A1 + O <=> C5H5 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(18957,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1382, + label = "A1 + O <=> C6H5O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(18957,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1383, + label = "A1 + H <=> A1- + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.51e+14,'cm^3/(mol*s)'), n=0, Ea=(67014.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1384, + label = "A1 + OH <=> C6H5OH + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=0, Ea=(43900.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1385, + label = "A1 + OH <=> A1- + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.45e+13,'cm^3/(mol*s)'), n=0, Ea=(18790.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1386, + label = "A1 + CH3 <=> A1- + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(62608,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1387, + label = "A1 + C2H <=> A1- + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1388, + label = "A1 + O2 <=> A1- + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(261906,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1389, + label = "A1- + O2 <=> C6H5O + O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.6e+12,'cm^3/(mol*s)'), n=0, Ea=(25359.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1390, + label = "A1- + O <=> C5H5 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1391, + label = "A1- + OH <=> C6H5O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1392, + label = "A1- + C6H5OH <=> C6H5O + A1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.91e+12,'cm^3/(mol*s)'), n=0, Ea=(18291.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1393, + label = "C6H5O <=> C5H5 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.4e+11,'s^-1'), n=0, Ea=(183750,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1394, + label = "C6H5O + O <=> C5H5 + CO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1395, + label = "C6H5O + H <=> cyclopentadiene + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1396, + label = "C6H5O + H <=> C6H5OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1397, + label = "C6H5OH <=> cyclopentadiene + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'s^-1'), n=0, Ea=(254423,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1398, + label = "C6H5OH + O <=> C6H5O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.8e+13,'cm^3/(mol*s)'), n=0, Ea=(29932.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1399, + label = "C6H5OH + H <=> C6H5O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+13,'cm^3/(mol*s)'), n=0, Ea=(24943.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1400, + label = "C6H5OH + OH <=> C6H5O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1401, + label = "C6H5OH + C2H3 <=> C6H5O + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1402, + label = "A1 + CH2 <=> C7H8", + degeneracy = 1.0, + duplicate = True, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(1.7e+13,'cm^3/(mol*s)'), n=0, Ea=(36334.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(36334.2,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified + +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1403, + label = "C7H8 <=> A1- + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+16,'s^-1'), n=0, Ea=(414892,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1404, + label = "iC4H5 + C3H3 <=> C7H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+36,'cm^3/(mol*s)'), n=-7.18, Ea=(35203.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1405, + label = "C7H7 + H <=> C7H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.6e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1406, + label = "C7H8 + O2 <=> C7H7 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(172110,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1407, + label = "C7H8 + O <=> C7H7 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1408, + label = "C7H8 + H <=> A1 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(21201.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1409, + label = "C7H8 + H <=> C7H7 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(34089.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1410, + label = "iC4H5 + C3H4 <=> C7H8 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(15381.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1411, + label = "C7H8 + OH <=> C7H7 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.18e+09,'cm^3/(mol*s)'), n=1, Ea=(3658.37,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1412, + label = "C7H8 + HO2 <=> C7H7 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(62192.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1413, + label = "C7H8 + CH3 <=> C7H7 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+12,'cm^3/(mol*s)'), n=0, Ea=(46477.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1414, + label = "C7H8 + C2H3 <=> C7H7 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(33923,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1415, + label = "C7H8 + C3H3 <=> C7H7 + C3H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+12,'cm^3/(mol*s)'), n=0, Ea=(63023.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1416, + label = "C7H8 + C3H5 <=> C7H7 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(62192.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1417, + label = "C7H8 + C5H5 <=> C7H7 + cyclopentadiene", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+12,'cm^3/(mol*s)'), n=0, Ea=(46394.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1418, + label = "C7H8 + C6H5O <=> C7H7 + C6H5OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.431e+12,'cm^3/(mol*s)'), n=0, Ea=(86553.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1419, + label = "C7H8 + HCO <=> C7H7 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.771e+13,'cm^3/(mol*s)'), n=0, Ea=(98892.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1420, + label = "C7H8 + iC4H5 <=> C7H7 + C4H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(32010.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1421, + label = "C7H8 + A1- <=> C7H7 + A1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.94e+13,'cm^3/(mol*s)'), n=0, Ea=(46527.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1422, + label = "C7H7 => C4H4 + C3H3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+14,'s^-1'), n=0, Ea=(351702,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1423, + label = "C7H7 <=> C5H5 + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.1e+13,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1424, + label = "A1- + CH3 <=> C7H7 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1425, + label = "iC4H5 + C3H3 <=> C7H7 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+35,'cm^3/(mol*s)'), n=-7.18, Ea=(35203.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1426, + label = "C7H7 + H + OH <=> A1 + CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^6/(mol^2*s)'), n=0, Ea=(21551.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1427, + label = "C7H7 + O <=> A1 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1428, + label = "C7H7 + O <=> A1- + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1429, + label = "C7H7 + OH <=> A1- + CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(21401.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1430, + label = "C7H7 + HO2 <=> A1- + CH2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.17e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1431, + label = "C7H7 + O2 <=> A1- + HCO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.31e+12,'cm^3/(mol*s)'), n=0, Ea=(178761,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1432, + label = "A1- + C2H <=> A1C2H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.24e+14,'cm^3/(mol*s)'), n=-0.5, Ea=(2494.34,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1433, + label = "iC4H5 + C4H2 <=> A1C2H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+11,'cm^3/(mol*s)'), n=0, Ea=(7483.02,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1434, + label = "A1C2H- + H <=> A1C2H", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.6e+75,'cm^6/(mol^2*s)'), n=-16.3, Ea=(58201.3,'J/mol'), T0=(1,'K')), alpha=1, T3=(0.1,'K'), T1=(584.9,'K'), T2=(6113,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1435, + label = "A1C2H + O <=> A1C2H- + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+13,'cm^3/(mol*s)'), n=0, Ea=(34089.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1436, + label = "A1C2H + O <=> A1- + HCCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.1e+07,'cm^3/(mol*s)'), n=2, Ea=(7898.75,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1437, + label = "A1C2H + O <=> C6H5O + C2H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(18790.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1438, + label = "A1C2H + H <=> A1C2H- + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.7e+13,'cm^3/(mol*s)'), n=0, Ea=(40591.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1439, + label = "A1C2H + H <=> A1- + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+14,'cm^3/(mol*s)'), n=0, Ea=(40591.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1440, + label = "A1C2H + H <=> A1C2H2", + degeneracy = 1.0, + duplicate = True, + kinetics = Arrhenius(A=(3e+43,'cm^3/(mol*s)'), n=-9.22, Ea=(63289.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1441, + label = "A1 + C2H <=> A1C2H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1442, + label = "A1C2H + OH <=> A1C2H- + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.1e+13,'cm^3/(mol*s)'), n=0, Ea=(19123.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1443, + label = "A1C2H + OH <=> A1- + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000218,'cm^3/(mol*s)'), n=4.5, Ea=(-4157.24,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1444, + label = "A1C2H + OH <=> A1 + HCCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=3.02, Ea=(46344.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1445, + label = "A1- + C4H2 <=> A1C2H + C2H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(91459.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1446, + label = "A1- + C2H3 <=> A1C2H + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.9e+12,'cm^3/(mol*s)'), n=0, Ea=(26606.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1447, + label = "A1- + C4H4 <=> A1C2H + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+11,'cm^3/(mol*s)'), n=0, Ea=(5656.83,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1448, + label = "A1C2H + C2H <=> A1C2H- + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1449, + label = "iC4H3 + C4H2 <=> A1C2H-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.6e+70,'cm^3/(mol*s)'), n=-17.77, Ea=(130205,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1450, + label = "C5H5 + C3H3 <=> A1C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(34704.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1451, + label = "C4H4 + C4H4 <=> A1C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.8e+20,'cm^3/(mol*s)'), n=-1.9, Ea=(168202,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1452, + label = "iC4H5 + C4H4 => A1C2H3 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3.16e+11,'cm^3/(mol*s)'), n=0, Ea=(2494.34,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1453, + label = "A1- + C2H3 <=> A1C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.06e+26,'cm^3/(mol*s)'), n=-4, Ea=(22033.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1454, + label = "A1C2H3 + H <=> A1C2H2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.65e+06,'cm^3/(mol*s)'), n=2.53, Ea=(50884.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1455, + label = "A1C2H3 + H <=> A1C2H3* + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(303,'cm^3/(mol*s)'), n=3.3, Ea=(23862.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1456, + label = "A1C2H3 + O <=> A1- + CH2HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+08,'cm^3/(mol*s)'), n=1.45, Ea=(3741.51,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1457, + label = "A1C2H3 + O <=> A1- + CH3 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.92e+07,'cm^3/(mol*s)'), n=1.83, Ea=(914.592,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1458, + label = "A1C2H3 + O <=> C2H3 + C6H5O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(18832.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1459, + label = "A1C2H3 + O <=> A1C2H2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.55e+06,'cm^3/(mol*s)'), n=1.91, Ea=(15631.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1460, + label = "A1C2H3 + OH <=> A1C2H2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.1e+06,'cm^3/(mol*s)'), n=2, Ea=(14259.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1461, + label = "A1C2H3 + OH => C6H5O + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=0, Ea=(44066.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1462, + label = "A1C2H3 + OH <=> A1C2H3* + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.63e+08,'cm^3/(mol*s)'), n=1.42, Ea=(6092.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1463, + label = "A1C2H3 + OH <=> C7H7 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1464, + label = "A1C2H3 + O2 <=> C6H5O + CH2HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.88e+11,'cm^3/(mol*s)'), n=0, Ea=(31251.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1465, + label = "A1C2H3 + CH3 <=> A1C2H3* + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(62608,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1466, + label = "C7H7 + CH3 <=> A1C2H3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.06e+26,'cm^3/(mol*s)'), n=-4, Ea=(22033.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1467, + label = "A1 + C2H3 <=> A1C2H3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.9e+11,'cm^3/(mol*s)'), n=0, Ea=(26606.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1468, + label = "A1- + C2H4 <=> A1C2H3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.51e+12,'cm^3/(mol*s)'), n=0, Ea=(25733.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1469, + label = "C7H7 + CH2 <=> A1C2H3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1470, + label = "A1- + C4H4 <=> A1C2H3 + C2H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(83144.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1471, + label = "A1- + C4H6 <=> A1C2H3 + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+11,'cm^3/(mol*s)'), n=0, Ea=(7961.44,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1472, + label = "A1C2H3* + O2 <=> C6H5O + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.88e+12,'cm^3/(mol*s)'), n=0, Ea=(31251.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1473, + label = "A1C2H3* + H <=> A1C2H3", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.6e+75,'cm^6/(mol^2*s)'), n=-16.3, Ea=(58201.3,'J/mol'), T0=(1,'K')), alpha=1, T3=(0.1,'K'), T1=(584.9,'K'), T2=(6113,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1474, + label = "C5H5 + C3H3 <=> A1C2H3* + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+35,'cm^3/(mol*s)'), n=-7.18, Ea=(35203.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1475, + label = "A1C2H3* + CH3 <=> INDENE + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+18,'cm^3/(mol*s)'), n=0, Ea=(303478,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1476, + label = "A1C2H2 <=> A1C2H + H", + degeneracy = 1.0, + duplicate = True, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(2e+17,'cm^3/(mol*s)'), n=0, Ea=(166289,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1477, + label = "A1 + C2H <=> A1C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+38,'cm^3/(mol*s)'), n=-8.02, Ea=(68178.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1478, + label = "A1- + C2H2 <=> A1C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(48872.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1479, + label = "A1C2H2 + H <=> A1C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.4e+12,'cm^3/(mol*s)'), n=0, Ea=(10060.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1480, + label = "A1C2H2 + H <=> A1C2H + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1481, + label = "A1C2H2 + OH <=> A1C2H + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1482, + label = "C5H5 + C3H3 <=> A1C2H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+35,'cm^3/(mol*s)'), n=-7.18, Ea=(35203.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1483, + label = "A1- + C2H3 <=> A1C2H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.4,'cm^3/(mol*s)'), n=4.14, Ea=(96589.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1484, + label = "H + INDANYL-2 <=> INDANE", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1485, + label = "H + INDANYL-1 <=> INDANE", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1486, + label = "INDANE => C6H4C2H3CH3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.26e+16,'s^-1'), n=0, Ea=(354723,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1487, + label = "INDANE + H <=> INDANYL-2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(108000,'cm^3/(mol*s)'), n=2.5, Ea=(-7938.44,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1488, + label = "INDANE + H <=> INDANYL-1 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+06,'cm^3/(mol*s)'), n=2, Ea=(20890.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1489, + label = "INDANE + OH <=> INDANYL-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+06,'cm^3/(mol*s)'), n=2, Ea=(-6350.75,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1490, + label = "INDANE + OH <=> INDANYL-1 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.6e+06,'cm^3/(mol*s)'), n=2, Ea=(-3217.16,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1491, + label = "INDANE + O <=> INDANYL-2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+11,'cm^3/(mol*s)'), n=0.7, Ea=(13578.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1492, + label = "INDANE + O <=> INDANYL-1 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.6e+13,'cm^3/(mol*s)'), n=0, Ea=(21726.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1493, + label = "INDANE + HO2 <=> INDANYL-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(12800,'cm^3/(mol*s)'), n=2.6, Ea=(51808.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1494, + label = "INDANE + HO2 <=> INDANYL-1 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(64760.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1495, + label = "INDANE + CH3 <=> INDANYL-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(30500.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1496, + label = "INDANE + CH3 <=> INDANYL-1 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(40110,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1497, + label = "INDANE + A1- <=> INDANYL-2 + A1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(33425,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1498, + label = "INDANE + C7H7 <=> INDANYL-2 + C7H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.8e+12,'cm^3/(mol*s)'), n=0, Ea=(54733.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1499, + label = "INDANYL-1 <=> INDANYL-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.95e+10,'s^-1'), n=1, Ea=(142892,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1500, + label = "INDANYL-2 <=> C6H4C2H3CH2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.36e+12,'s^-1'), n=0.44, Ea=(172682,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1501, + label = "INDANYL-2 <=> INDENE + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.21e+11,'s^-1'), n=0.985, Ea=(176317,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1502, + label = "INDANYL-2 + O2 <=> INDENE + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+12,'cm^3/(mol*s)'), n=0, Ea=(63507.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1503, + label = "INDANYL-1 <=> INDENE + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.57e+10,'s^-1'), n=0.885, Ea=(149452,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1504, + label = "INDANYL-1 <=> C6H4C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.11e+13,'s^-1'), n=0.15, Ea=(191651,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1505, + label = "INDANYL-1 + O2 <=> INDENE + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.16e+12,'cm^3/(mol*s)'), n=0, Ea=(20890.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1506, + label = "C6H4C2H3CH2 + H <=> C6H4C2H3CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1507, + label = "C6H4C3H5 <=> A1C3H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.4e+13,'s^-1'), n=0, Ea=(144146,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1508, + label = "A1C3H4 <=> C7H7 + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1509, + label = "A1C3H4 <=> A1- + C3H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(129522,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1510, + label = "A1C3H4 <=> A1C2H + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(131611,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1511, + label = "A1C2H3* + CH3 <=> C6H4C2H3CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1512, + label = "C6H4C2H3CH3 + H <=> C6H4C2H3CH2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(170000,'cm^3/(mol*s)'), n=2.5, Ea=(10445.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1513, + label = "C6H4C2H3CH3 + OH <=> C6H4C2H3CH2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+06,'cm^3/(mol*s)'), n=2, Ea=(-1245.08,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1514, + label = "C6H4C2H3CH3 + H <=> A1C2H3 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.8e+13,'cm^3/(mol*s)'), n=0, Ea=(33842.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1515, + label = "C6H4C2H3CH3 + H <=> C7H8 + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.8e+13,'cm^3/(mol*s)'), n=0, Ea=(33842.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1516, + label = "C6H4C2H3CH3 + O2 => C3H4 + A1- + HO2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(204728,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1517, + label = "C6H4C2H3CH3 + O => OH + C3H4 + A1-", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(5.1e+13,'cm^3/(mol*s)'), n=0, Ea=(32798.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1518, + label = "C6H4C2H3CH3 + H => H2 + C3H4 + A1-", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.85e+07,'cm^3/(mol*s)'), n=2, Ea=(32171.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1519, + label = "C6H4C2H3CH3 + OH => H2O + C3H4 + A1-", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.67e+06,'cm^3/(mol*s)'), n=2, Ea=(1880.16,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1520, + label = "C6H4C2H3CH3 + HO2 => H2O2 + C3H4 + A1-", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6e+11,'cm^3/(mol*s)'), n=0, Ea=(71028.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1521, + label = "C6H4C2H3CH3 + CH3 => CH4 + C3H4 + A1-", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(0.3,'cm^3/(mol*s)'), n=4, Ea=(34260.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1522, + label = "C5H5 + iC4H3 <=> INDENE", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(34704.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1523, + label = "A1- + C3H3 <=> INDENE", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.86e+11,'cm^3/(mol*s)'), n=0, Ea=(56958.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1524, + label = "INDENE <=> INDENYL + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+15,'s^-1'), n=0, Ea=(322602,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1525, + label = "INDENE + O <=> INDENYL + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1526, + label = "INDENE + O <=> C7H7 + HCCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(16628.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1527, + label = "INDENE + H <=> INDENYL + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1528, + label = "INDENE + H <=> A1C2H + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+14,'cm^3/(mol*s)'), n=0, Ea=(191233,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1529, + label = "INDENE + H <=> A1 + C3H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+14,'cm^3/(mol*s)'), n=0, Ea=(203705,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1530, + label = "INDENE + OH <=> C7H7 + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(41572.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1531, + label = "INDENE + OH <=> INDENYL + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1532, + label = "INDENE + O2 <=> INDENYL + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(103931,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1533, + label = "INDENE + HO2 <=> INDENYL + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(48468,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1534, + label = "INDENE + CH3 <=> INDENYL + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(58201.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1535, + label = "INDENE + C3H3 <=> INDENYL + C3H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.8e+10,'cm^3/(mol*s)'), n=0, Ea=(23032.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1536, + label = "INDENE + A1- <=> INDENYL + A1", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+11,'cm^3/(mol*s)'), n=0, Ea=(24943.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1537, + label = "INDENE + C7H7 <=> INDENYL + C7H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(29100.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1538, + label = "C4H6 + A1- <=> INDENE + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.42e+13,'cm^3/(mol*s)'), n=0, Ea=(116403,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1539, + label = "iC4H5 + A1 <=> INDENE + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.42e+13,'cm^3/(mol*s)'), n=0, Ea=(116403,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1540, + label = "A1- + C3H4 <=> INDENE + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+16,'cm^3/(mol*s)'), n=0, Ea=(138020,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1541, + label = "C5H5 + C4H4 <=> INDENE + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+11,'cm^3/(mol*s)'), n=0, Ea=(41821.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1542, + label = "C7H7 + C2H2 <=> INDENE + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+11,'cm^3/(mol*s)'), n=0, Ea=(41821.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1543, + label = "C5H5 + cyclopentadiene <=> INDENE + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.63e+13,'cm^3/(mol*s)'), n=1.63, Ea=(249201,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1544, + label = "C5H5 + C4H2 <=> INDENYL", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+12,'cm^3/(mol*s)'), n=0, Ea=(41821.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1545, + label = "C5H5 + C5H5 <=> INDENYL + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+12,'cm^3/(mol*s)'), n=0, Ea=(40000.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1546, + label = "INDENYL => C2H2 + C4H2 + C3H3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+14,'s^-1'), n=0, Ea=(311793,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1547, + label = "INDENYL + O <=> A1C2H2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1548, + label = "INDENYL + O <=> A1C2H3* + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1549, + label = "INDENYL + HO2 => A1C2H2 + CO + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1550, + label = "INDENYL + HO2 => A1C2H + CO + H2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1551, + label = "INDENYL + HO2 => A1C2H3* + CO + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1552, + label = "pbz <=> C7H7 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+15,'s^-1'), n=0, Ea=(286400,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1553, + label = "pbz <=> C9H11 + H", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(4.48e+16,'s^-1'), n=0, Ea=(311018,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.77e+12,'s^-1'), n=0, Ea=(225013,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1554, + label = "pbz <=> A1C2H4 + CH3", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(4.48e+16,'s^-1'), n=0, Ea=(311018,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.77e+12,'s^-1'), n=0, Ea=(225013,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1555, + label = "pbz <=> A1- + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+16,'s^-1'), n=0, Ea=(408024,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1556, + label = "pbz + H <=> C9H11 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.33e+06,'cm^3/(mol*s)'), n=2.54, Ea=(28294.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1557, + label = "pbz + H <=> A1 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.78e+13,'cm^3/(mol*s)'), n=0, Ea=(33788.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1558, + label = "pbz + O2 <=> C9H11 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+13,'cm^3/(mol*s)'), n=0, Ea=(199547,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1559, + label = "pbz + CH3 <=> C9H11 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+15,'cm^3/(mol*s)'), n=0, Ea=(105594,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1560, + label = "pbz + HO2 <=> C9H11 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e+13,'cm^3/(mol*s)'), n=0, Ea=(81565,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1561, + label = "pbz + OH <=> C9H11 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.75e+08,'cm^3/(mol*s)'), n=1.4, Ea=(3575.22,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1562, + label = "pbz + O <=> C9H11 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(19000,'cm^3/(mol*s)'), n=2.68, Ea=(17601.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1563, + label = "C9H11 <=> C7H7 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+13,'s^-1'), n=0, Ea=(124717,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1564, + label = "C9H11 <=> A1C2H3 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+13,'s^-1'), n=0, Ea=(124717,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1565, + label = "C9H11 <=> A1C3H5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'s^-1'), n=0, Ea=(158765,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1566, + label = "C9H11 <=> A1- + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.08e+14,'s^-1'), n=0, Ea=(182010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1567, + label = "A1C3H4 + H <=> A1C3H5", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.33e+60,'cm^6/(mol^2*s)'), n=-12, Ea=(24943.4,'J/mol'), T0=(1,'K')), alpha=0.02, T3=(1096.6,'K'), T1=(1096.6,'K'), T2=(6859.5,'K'), efficiencies={'C': 2.0, 'CC': 3.0, 'O': 6.0, 'O=C=O': 2.0, '[Ar]': 0.7, '[C-]#[O+]': 1.5, '[H][H]': 2.0}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1568, + label = "A1C3H4 <=> INDENE + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'s^-1'), n=0, Ea=(137008,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1569, + label = "A1C2H4 <=> A1C2H3 + H", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(3.16e+13,'s^-1'), n=0, Ea=(212012,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.08e+14,'s^-1'), n=0, Ea=(126007,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1570, + label = "A1C2H4 <=> A1- + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.08e+14,'s^-1'), n=0, Ea=(182010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1571, + label = "ebz <=> A1 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.15e+09,'s^-1'), n=0, Ea=(216005,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1572, + label = "ebz <=> A1C2H3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.01e+12,'s^-1'), n=0, Ea=(267350,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1573, + label = "ebz <=> C7H7 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.11e+96,'s^-1'), n=-23.78, Ea=(493688,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1574, + label = "A1- + C2H5 <=> ebz", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(2.33e+14,'cm^3/(mol*s)'), n=-0.283, Ea=(-798.022,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.73e+83,'cm^6/(mol^2*s)'), n=-19.22, Ea=(62588.4,'J/mol'), T0=(1,'K')), alpha=0.5918, T3=(320.14,'K'), T1=(1858.22,'K'), T2=(5394.99,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1575, + label = "A1C2H4 + H <=> ebz", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(7.22e+13,'cm^3/(mol*s)'), n=0.062, Ea=(-183.838,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.02e+136,'cm^6/(mol^2*s)'), n=-33.35, Ea=(232137,'J/mol'), T0=(1,'K')), alpha=2.545, T3=(2.156,'K'), T1=(453.23,'K'), T2=(4551.5,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1576, + label = "ebz + H <=> A1C2H4 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.22e+08,'cm^3/(mol*s)'), n=1.5, Ea=(30968.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1577, + label = "ebz + H <=> A1 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.78e+13,'cm^3/(mol*s)'), n=0, Ea=(33788.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1578, + label = "ebz + OH <=> C6H5OH + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(263,'cm^3/(mol*s)'), n=2.88, Ea=(13461,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1579, + label = "ebz + OH <=> A1C2H4 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.14e+06,'cm^3/(mol*s)'), n=2.12, Ea=(3634.97,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1580, + label = "ebz + O <=> A1C2H4 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+07,'cm^3/(mol*s)'), n=1.92, Ea=(23773.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1581, + label = "C10H12 => C3H5 + C7H7", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+14,'s^-1'), n=0, Ea=(319627,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1582, + label = "C10H12 => C2H3 + A1C2H3 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+14,'s^-1'), n=0, Ea=(319627,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1583, + label = "C10H12 => A1- + C2H3 + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'s^-1'), n=0, Ea=(319627,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1584, + label = "C10H12 => A1 + C2H2 + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.5e+12,'s^-1'), n=0, Ea=(292469,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1585, + label = "C10H12 => A1C2H3 + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.5e+13,'s^-1'), n=0, Ea=(292469,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1586, + label = "C10H12 + H => A1- + C2H4 + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(20890.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1587, + label = "C10H12 + H => C2H5 + A1C2H3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.5e+12,'cm^3/(mol*s)'), n=0, Ea=(20890.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1588, + label = "C10H12 + H => C7H7 + C3H6", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(20890.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1589, + label = "C10H12 + H => C2H4 + A1C2H3 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(20890.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1590, + label = "C10H12 + OH => C7H8 + HCO + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3e+12,'cm^3/(mol*s)'), n=0, Ea=(8356.29,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1591, + label = "C10H12 + O2 => C10H11 + HO2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.726e+07,'cm^3/(mol*s)'), n=2, Ea=(170144,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1592, + label = "C10H12 + H => C10H11 + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3.851e+07,'cm^3/(mol*s)'), n=2, Ea=(16506,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1593, + label = "C10H12 + OH => C10H11 + H2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6.39e+06,'cm^3/(mol*s)'), n=2, Ea=(-9441.83,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1594, + label = "C10H12 + O => C10H11 + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.165e+07,'cm^3/(mol*s)'), n=2, Ea=(10777.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1595, + label = "C10H12 + HO2 => C10H11 + H2O2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(862000,'cm^3/(mol*s)'), n=2, Ea=(49668.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1596, + label = "C10H12 + HCO => C10H11 + CH2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.021e+06,'cm^3/(mol*s)'), n=2, Ea=(51643.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1597, + label = "C10H12 + CH3 => C10H11 + CH4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(624500,'cm^3/(mol*s)'), n=2, Ea=(20352.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1598, + label = "C10H12 + C2H5 => C10H11 + C2H6", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(367700,'cm^3/(mol*s)'), n=2, Ea=(31996.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1599, + label = "C10H11 => INDENE + CH3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.5e+13,'s^-1'), n=0, Ea=(127433,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1600, + label = "C10H11 => A2 + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(127433,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1601, + label = "DECALIN => C5H9 + C5H9", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+16,'s^-1'), n=0, Ea=(346784,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1602, + label = "DECALIN => cyC6H10 + C2H4 + C2H4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+16,'s^-1'), n=0, Ea=(338428,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1603, + label = "DECALIN + H => RDECALIN + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.813e+07,'cm^3/(mol*s)'), n=2, Ea=(16506,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1604, + label = "DECALIN + OH => RDECALIN + H2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(7.988e+06,'cm^3/(mol*s)'), n=2, Ea=(-9441.83,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1605, + label = "DECALIN + O => RDECALIN + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.707e+07,'cm^3/(mol*s)'), n=2, Ea=(10777.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1606, + label = "DECALIN + HCO => RDECALIN + CH2O", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.526e+06,'cm^3/(mol*s)'), n=2, Ea=(51643.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1607, + label = "DECALIN + CH3 => RDECALIN + CH4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(780600,'cm^3/(mol*s)'), n=2, Ea=(20352.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1608, + label = "DECALIN + C2H5 => RDECALIN + C2H6", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(459700,'cm^3/(mol*s)'), n=2, Ea=(31996.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1609, + label = "DECALIN + HO2 => RDECALIN + H2O2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(66273.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1610, + label = "DECALIN + O2 => RDECALIN + HO2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(5e+14,'cm^3/(mol*s)'), n=0, Ea=(186750,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1611, + label = "RDECALIN => C3H5 + C2H4 + C5H8", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(7.5e+12,'s^-1'), n=0, Ea=(249434,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1612, + label = "RDECALIN => nC4H7 + cyC6H10", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4e+12,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1613, + label = "RDECALIN => pC4H9 + cyC6H8", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3e+12,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1614, + label = "RDECALIN => CH3 + C4H6 + C5H8", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6e+12,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1615, + label = "RDECALIN => nC3H7 + C7H8 + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4e+12,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1616, + label = "RDECALIN => CH3 + INDENE + H2 + H2 + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+11,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1617, + label = "RDECALIN => C2H5 + ebz + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+12,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1618, + label = "RDECALIN => cyC6H11 + C4H6", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.5e+12,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1619, + label = "RDECALIN => nC3H7 + C2H4 + cyclopentadiene", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.5e+12,'s^-1'), n=0, Ea=(125344,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1620, + label = "INDENYL + C3H3 => P2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(58201.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1621, + label = "A1- + A1 <=> P2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+23,'cm^3/(mol*s)'), n=-2.92, Ea=(61942.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1622, + label = "INDENE + C3H3 => P2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.55e+14,'cm^3/(mol*s)'), n=0, Ea=(215446,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1623, + label = "A1- + A1- <=> P2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+19,'cm^3/(mol*s)'), n=-2.05, Ea=(12056,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1624, + label = "P2 <=> INDENE + C3H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+14,'s^-1'), n=0, Ea=(457296,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1625, + label = "P2 <=> P2- + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+19,'s^-1'), n=-2.72, Ea=(476419,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1626, + label = "P2 + H <=> P2- + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+14,'cm^3/(mol*s)'), n=0, Ea=(66515.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1627, + label = "P2 + OH <=> P2- + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+08,'cm^3/(mol*s)'), n=1.42, Ea=(6402.14,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1628, + label = "P2 + CH3 <=> P2- + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(62608,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1629, + label = "P2- + O2 <=> A2 + HCO + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(30763.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1630, + label = "A1- + A1- <=> P2- + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.23,'cm^3/(mol*s)'), n=4.62, Ea=(120560,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1631, + label = "iC4H5 + A1 => A2 + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(12500.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1632, + label = "C4H6 + A1- => A2 + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(5e+11,'cm^3/(mol*s)'), n=0, Ea=(12500.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1633, + label = "C5H5 + C5H5 <=> A2 + H + H", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(3e+16,'cm^3/(mol*s)'), n=0, Ea=(196429,'J/mol'), T0=(1,'K')), Arrhenius(A=(453000,'cm^3/(mol*s)'), n=1.83, Ea=(150001,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1634, + label = "A1- + iC4H3 <=> A2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.18e+23,'cm^3/(mol*s)'), n=-3.2, Ea=(17709.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1635, + label = "A1- + C4H4 <=> A2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+33,'cm^3/(mol*s)'), n=-5.7, Ea=(106010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1636, + label = "C7H7 + C3H3 => A2 + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(58201.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1637, + label = "A1C2H3* + C2H2 <=> A2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+16,'cm^3/(mol*s)'), n=-1.33, Ea=(27437.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1638, + label = "A1C2H2 + C2H2 <=> A2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+16,'cm^3/(mol*s)'), n=-1.33, Ea=(22449.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1639, + label = "INDENYL + CH3 <=> A2 + H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+18,'cm^3/(mol*s)'), n=0, Ea=(303478,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1640, + label = "INDENE + CH2 => A2 + H + H", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(36334.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1641, + label = "INDENE + CH2(S) <=> A2 + H + H", + degeneracy = 1.0, + duplicate = True, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(36334.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1642, + label = "A2 + O <=> CH2CO + A1C2H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(18832.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1643, + label = "A2 + O => INDENYL + CO + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3.6e+14,'cm^3/(mol*s)'), n=0, Ea=(183692,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1644, + label = "A2 + O <=> A1C2H2 + HCCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(174604,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1645, + label = "A2 + O <=> A1C2H3* + HCCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(174604,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1646, + label = "A2 + O <=> A2- + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(61527.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1647, + label = "A2 + H <=> A2- + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+14,'cm^3/(mol*s)'), n=0, Ea=(66515.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1648, + label = "A2 + OH <=> A2- + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.1e+13,'cm^3/(mol*s)'), n=0, Ea=(19123.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1649, + label = "A2 + OH => A1C2H + CH2CO + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=0, Ea=(44066.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1650, + label = "A2 + CH3 <=> A2- + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(62608,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1651, + label = "A2 + C2H <=> A2- + C2H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(66515.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1652, + label = "A2 + C2H <=> A2C2H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1653, + label = "A1C2H- + C2H2 <=> A2-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(42403.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1654, + label = "A2- + O2 => A1C2H + HCO + CO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(30763.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1655, + label = "A2- + O => INDENYL + CO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1656, + label = "A2- + H <=> A2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1657, + label = "A2- + HO2 => INDENYL + CO + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1658, + label = "A2- + C2H2 <=> A2C2H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+24,'cm^3/(mol*s)'), n=-3.06, Ea=(93953.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1659, + label = "A1- + iC4H3 <=> A2- + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e-10,'cm^3/(mol*s)'), n=7.1, Ea=(6536.75,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1660, + label = "A2C2H + H <=> A2C2H* + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+14,'cm^3/(mol*s)'), n=0, Ea=(66515.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1661, + label = "A2C2H + OH <=> A2- + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000218,'cm^3/(mol*s)'), n=4.5, Ea=(-4157.24,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1662, + label = "A2C2H + OH <=> A2C2H* + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.1e+13,'cm^3/(mol*s)'), n=0, Ea=(19123.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1663, + label = "INDENYL + C3H3 => A2C2H + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1664, + label = "A2 + CH2 <=> A2CH3", + degeneracy = 1.0, + duplicate = True, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(36334.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.4e+13,'cm^3/(mol*s)'), n=0, Ea=(36334.2,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified + +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1665, + label = "A2CH3 <=> A2- + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+16,'s^-1'), n=0, Ea=(405746,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1666, + label = "A2CH3 <=> A2CH2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.81e+15,'s^-1'), n=0, Ea=(371657,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1667, + label = "A2CH3 + O2 <=> A2CH2 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+14,'cm^3/(mol*s)'), n=0, Ea=(173008,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1668, + label = "A2CH3 + O <=> A2CH2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(5379.46,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1669, + label = "A2CH3 + H <=> A2CH2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(39.8,'cm^3/(mol*s)'), n=3.44, Ea=(12970.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1670, + label = "A2CH3 + H <=> A2 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(21201.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1671, + label = "A2CH3 + OH <=> A2CH2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.19e+08,'cm^3/(mol*s)'), n=1, Ea=(3658.37,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1672, + label = "A2CH3 + HO2 <=> A2CH2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(58201.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1673, + label = "A2CH3 + CH3 <=> A2CH2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+12,'cm^3/(mol*s)'), n=0, Ea=(45729.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1674, + label = "A2CH3 + C2H3 <=> A2CH2 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.1e+12,'cm^3/(mol*s)'), n=0, Ea=(31179.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1675, + label = "A2CH3 + A2- <=> A2CH2 + A2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.1e+12,'cm^3/(mol*s)'), n=0, Ea=(18292.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1676, + label = "A2CH2 + O <=> A2CHO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.65e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1677, + label = "A2CH2 + O2 <=> A2CHO + H + O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.3e+12,'cm^3/(mol*s)'), n=0, Ea=(178749,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1678, + label = "A2CH2 + HO2 <=> A2CHO + OH + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1679, + label = "A2CH2 + OH => A2CHO + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1680, + label = "A2CH2 + OH <=> C11H10O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1681, + label = "C11H10O + O2 <=> A2CHO + HO2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+14,'cm^3/(mol*s)'), n=0, Ea=(171898,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1682, + label = "C11H10O + OH <=> A2CHO + H2O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.2e+09,'cm^3/(mol*s)'), n=1, Ea=(3635.09,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1683, + label = "C11H10O + H <=> A2CHO + H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+14,'cm^3/(mol*s)'), n=0, Ea=(34924.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1684, + label = "C11H10O + H <=> A2 + CH2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(21402.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1685, + label = "A2CHO <=> A2CO + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+15,'s^-1'), n=0, Ea=(347958,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1686, + label = "A2CHO + O2 <=> A2CO + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.03e+13,'cm^3/(mol*s)'), n=0, Ea=(169022,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1687, + label = "A2CHO + HO2 <=> A2CO + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.01e+12,'cm^3/(mol*s)'), n=0, Ea=(54350,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1688, + label = "A2CHO + OH <=> A2CO + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.83e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1689, + label = "A2CHO + H <=> A2CO + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.2e+10,'cm^3/(mol*s)'), n=1.1, Ea=(13612.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1690, + label = "A2CHO + H <=> A2 + HCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(21402.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1691, + label = "A2CHO + O <=> A2CO + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+12,'cm^3/(mol*s)'), n=0, Ea=(7520.44,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1692, + label = "A2CHO + CH3 <=> A2CO + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.8e-08,'cm^3/(mol*s)'), n=6.1, Ea=(8178.53,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1693, + label = "A2CHO + A2CH2 <=> A2CO + A2CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2770,'cm^3/(mol*s)'), n=2.8, Ea=(23999.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1694, + label = "A2CHO + A2- <=> A2CO + A2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.01e+11,'cm^3/(mol*s)'), n=0, Ea=(18296,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1695, + label = "A2CO <=> A2- + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+14,'s^-1'), n=0, Ea=(122214,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1696, + label = "A2 + O <=> A2O + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.23e+13,'cm^3/(mol*s)'), n=0, Ea=(22992.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1697, + label = "A2 + O2 <=> A2- + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.03e+13,'cm^3/(mol*s)'), n=0, Ea=(249434,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1698, + label = "A2- + HO2 <=> A2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.03e+13,'cm^3/(mol*s)'), n=0, Ea=(4153.08,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1699, + label = "A2- + O2 <=> A2O + O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.09e+12,'cm^3/(mol*s)'), n=0, Ea=(31050,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1700, + label = "INDENYL + CO => A2O", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(9500,'cm^3/(mol*s)'), n=1.4, Ea=(110400,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1701, + label = "A2O => INDENYL + CO", + degeneracy = 1.0, + duplicate = True, + reversible = False, + kinetics = Arrhenius(A=(7.4e+11,'s^-1'), n=0, Ea=(223880,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1702, + label = "A2O + H <=> A2OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1703, + label = "A2OH + OH <=> A2O + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.03e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1704, + label = "A2OH + H <=> A2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.23e+13,'cm^3/(mol*s)'), n=0, Ea=(32957.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1705, + label = "A2OH + H <=> A2O + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.15e+14,'cm^3/(mol*s)'), n=0, Ea=(51548.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1706, + label = "A2OH + O <=> A2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+13,'cm^3/(mol*s)'), n=0, Ea=(12051.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1707, + label = "A2CH2 + O <=> A2- + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.65e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1708, + label = "A2CH2 + HO2 <=> A2- + CH2O + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1709, + label = "A2CH2 + CH2 <=> A2C2H + H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1710, + label = "A2CH2 + C3H3 <=> A3 + H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(58201.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1711, + label = "A1C2H- + C4H4 <=> A2R5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+16,'cm^3/(mol*s)'), n=-1.33, Ea=(27437.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1712, + label = "A1C2H3* + C4H2 <=> A2R5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+16,'cm^3/(mol*s)'), n=-1.33, Ea=(22449.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1713, + label = "A1C2H2 + C4H2 <=> A2R5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+16,'cm^3/(mol*s)'), n=-1.33, Ea=(22449.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1714, + label = "INDENYL + C3H3 => A2R5 + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(8.3e+13,'cm^3/(mol*s)'), n=0, Ea=(40643.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1715, + label = "INDENE + C3H3 => A2R5 + H + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.55e+14,'cm^3/(mol*s)'), n=0, Ea=(215446,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1716, + label = "INDENYL + C3H3 <=> A2R5 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1717, + label = "A2- + C2H2 <=> A2R5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.9e+31,'cm^3/(mol*s)'), n=-5.26, Ea=(87302,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1718, + label = "A2C2H* + H <=> A2R5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1719, + label = "A2C2H + H <=> A2R5 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.6e+37,'cm^3/(mol*s)'), n=-7.03, Ea=(96032.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1720, + label = "A2R5- + H <=> A2R5", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(6.6e+75,'cm^6/(mol^2*s)'), n=-16.3, Ea=(29.1007,'J/mol'), T0=(1,'K')), alpha=1, T3=(0.1,'K'), T1=(585,'K'), T2=(6113,'K'), efficiencies={'C': 3.0, 'CC': 3.0, 'O': 6.5, 'O=C=O': 1.5, '[Ar]': 0.2, '[C-]#[O+]': 0.75, '[O][O]': 0.4}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1721, + label = "A2R5 <=> A1C2H + C4H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+16,'s^-1'), n=0, Ea=(482239,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1722, + label = "A2R5 + O <=> A2R5- + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(61527.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1723, + label = "A2R5 + O => A2- + HCCO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(61527.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1724, + label = "A2R5 + H <=> A2R5- + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+14,'cm^3/(mol*s)'), n=0, Ea=(66515.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1725, + label = "A2R5 + OH <=> A2R5- + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+08,'cm^3/(mol*s)'), n=1.42, Ea=(6027.99,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1726, + label = "A2R5 + OH <=> A2- + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(41572.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1727, + label = "A2R5 + CH3 <=> A2R5- + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(62608,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1728, + label = "A2R5 + OH => A2 + HCCO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(176,'cm^3/(mol*s)'), n=3.25, Ea=(23240.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1729, + label = "A3- + H <=> A3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1730, + label = "A1C2H + A1- <=> A3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+23,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1731, + label = "A1C2H- + A1 <=> A3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+23,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1732, + label = "A2- + C4H4 <=> A3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+33,'cm^3/(mol*s)'), n=-5.7, Ea=(106010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1733, + label = "P2- + C2H2 <=> A3 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.64e+06,'cm^3/(mol*s)'), n=1.97, Ea=(30181.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1734, + label = "A2R5 + C2H2 => A3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(27651.5,'cm^3/(mol*s)'), n=2.45, Ea=(121689,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1735, + label = "A2 + C4H2 => A3", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(27651.5,'cm^3/(mol*s)'), n=2.45, Ea=(121689,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1736, + label = "INDENYL + C5H5 => A3 + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3e+17,'cm^3/(mol*s)'), n=0, Ea=(196429,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1737, + label = "A3 + O <=> A2C2H + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(22989.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1738, + label = "A3 + O <=> A3- + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(61527.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1739, + label = "A3 + O => HCCO + P2-", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(174604,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1740, + label = "A3 + H <=> A3- + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+14,'cm^3/(mol*s)'), n=0, Ea=(66515.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1741, + label = "A3 + OH <=> A3- + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+12,'cm^3/(mol*s)'), n=1.42, Ea=(6260.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1742, + label = "A3 + OH => A2C2H + CH2CO + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=0, Ea=(41572.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1743, + label = "A3 + OH <=> CH2CO + P2-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(133032,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1744, + label = "A3 + CH3 <=> A3- + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(62608,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1745, + label = "A3- + O2 => CO + HCO + A2R5", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(30763.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1746, + label = "A2- + C4H2 <=> A3-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+33,'cm^3/(mol*s)'), n=-5.7, Ea=(106010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1747, + label = "A2C2H* + C2H2 <=> A3-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+62,'cm^3/(mol*s)'), n=-14.56, Ea=(137605,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1748, + label = "A2R5- + C2H2 <=> A3-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+37,'cm^3/(mol*s)'), n=-8.02, Ea=(68178.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1749, + label = "A3 + CH2 <=> A3CH3", + degeneracy = 1.0, + duplicate = True, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(29898.8,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.2e+13,'cm^3/(mol*s)'), n=0, Ea=(29898.8,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified + +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1750, + label = "A3CH3 <=> A3CH2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.81e+15,'s^-1'), n=0, Ea=(371657,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1751, + label = "A3CH3 + O <=> A3CH2 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(5342.05,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1752, + label = "A3CH3 + H <=> A3CH2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+14,'cm^3/(mol*s)'), n=0, Ea=(34920.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1753, + label = "A3CH3 + H <=> A3 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(21201.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1754, + label = "A3CH3 + OH <=> A3CH2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+13,'cm^3/(mol*s)'), n=0, Ea=(10601,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1755, + label = "A3CH3 + HO2 <=> A3CH2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(58201.3,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1756, + label = "A3CH3 + O2 <=> A3CH2 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+14,'cm^3/(mol*s)'), n=0, Ea=(173008,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1757, + label = "A3CH3 + CH3 <=> A3CH2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+12,'cm^3/(mol*s)'), n=0, Ea=(45729.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1758, + label = "A3CH2 + H <=> A3- + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+16,'cm^3/(mol*s)'), n=0, Ea=(405746,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1759, + label = "A3CH2 + O <=> A3- + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.65e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1760, + label = "A3CH2 + HO2 => A3- + CH2O + OH", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1761, + label = "A3 + C2H <=> A3C2H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1762, + label = "A3C2H + OH <=> A3- + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000218,'cm^3/(mol*s)'), n=4.5, Ea=(-4157.24,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1763, + label = "A3- + C2H2 <=> A3C2H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+26,'cm^3/(mol*s)'), n=-3.44, Ea=(125549,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1764, + label = "A3C2H + H <=> A3C2H* + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(303,'cm^3/(mol*s)'), n=3.3, Ea=(23862.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1765, + label = "A3CH2 + CH2 <=> A4 + H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1766, + label = "A4- + H <=> A4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1767, + label = "C4H2 + A2R5 => A4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(500,'cm^3/(mol*s)'), n=2.231, Ea=(-4732.38,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1768, + label = "A1C2H + A1C2H- <=> A4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1769, + label = "A1C2H2 + A1C2H => A4 + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.1e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1770, + label = "A1C2H3* + A1C2H => A4 + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.1e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1771, + label = "INDENYL + C7H7 => A4 + H2 + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.3e+37,'cm^3/(mol*s)'), n=-6.3, Ea=(187325,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1772, + label = "INDENYL + INDENYL => A4 + C2H2 + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.3e+36,'cm^3/(mol*s)'), n=-6.3, Ea=(187325,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1773, + label = "A2 + A1- <=> A4 + H + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(20786.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1774, + label = "A2- + A1 <=> A4 + H + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(20786.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1775, + label = "A2- + A1- => A4 + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.3e+37,'cm^3/(mol*s)'), n=-6.3, Ea=(187325,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1776, + label = "A2C2H* + C4H4 <=> A4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+33,'cm^3/(mol*s)'), n=-5.7, Ea=(106010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1777, + label = "A2R5- + iC4H3 <=> A4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.4e+23,'cm^3/(mol*s)'), n=-3.2, Ea=(17709.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1778, + label = "A3- + C2H2 <=> A4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.6e+24,'cm^3/(mol*s)'), n=-3.36, Ea=(73998.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1779, + label = "A3C2H + H <=> A4 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+38,'cm^3/(mol*s)'), n=-7.39, Ea=(86470.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1780, + label = "A1C2H2 + A1C2H- => A4 + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3e+17,'cm^3/(mol*s)'), n=0, Ea=(196429,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1781, + label = "A1C2H3* + A1C2H- <=> A4 + H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+17,'cm^3/(mol*s)'), n=0, Ea=(196429,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1782, + label = "A4 + O <=> A3- + HCCO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(174604,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1783, + label = "A4 + H <=> A4- + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+14,'cm^3/(mol*s)'), n=0, Ea=(66515.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1784, + label = "A4 + OH <=> A4- + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.42, Ea=(6092.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1785, + label = "A4 + OH <=> A3- + CH2CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(174604,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1786, + label = "A4 + CH3 <=> A4- + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(303,'cm^3/(mol*s)'), n=3.3, Ea=(23862.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1787, + label = "A2 + C6H <=> A4-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+37,'cm^3/(mol*s)'), n=-8.02, Ea=(68178.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1788, + label = "A2- + C6H2 <=> A4-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+37,'cm^3/(mol*s)'), n=-8.02, Ea=(68178.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1789, + label = "A2R5- + C4H2 => A4-", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(7e+37,'cm^3/(mol*s)'), n=-8.02, Ea=(68178.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1790, + label = "A4- + O2 <=> CO + CO + A3-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(30763.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1791, + label = "A4- + C2H2 <=> A4C2H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+26,'cm^3/(mol*s)'), n=-3.44, Ea=(125549,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1792, + label = "A4C2H + H <=> A4C2H* + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+14,'cm^3/(mol*s)'), n=0, Ea=(66515.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1793, + label = "A4C2H* + C2H2 <=> BAPYR*S", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+37,'cm^3/(mol*s)'), n=-8.02, Ea=(68178.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1794, + label = "A4C2H* + H <=> BGHIF", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1795, + label = "A4C2H + H <=> BGHIF + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.6e+37,'cm^3/(mol*s)'), n=-7.03, Ea=(96032.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1796, + label = "P2- + C6H2 <=> BGHIF + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1797, + label = "A3C2H* + C2H2 <=> BGHIF + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+16,'cm^3/(mol*s)'), n=-1.33, Ea=(27437.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1798, + label = "A2R5 + C6H2 => BGHIF", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(241.296,'cm^3/(mol*s)'), n=2.23132, Ea=(-4732.38,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1799, + label = "A1C2H- + A2 => BGHIF + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.1e+25,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1800, + label = "A1C2H + A2- => BGHIF + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.1e+25,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1801, + label = "INDENYL + INDENYL => BGHIF + H2 + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(8.3e+38,'cm^3/(mol*s)'), n=-6.3, Ea=(187325,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1802, + label = "A2 + Octatetrayne => BGHIF", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(241.296,'cm^3/(mol*s)'), n=2.23132, Ea=(-4732.38,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1803, + label = "A2R5- + A1 => BGHIF + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.1e+25,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1804, + label = "BGHIF + O <=> HCCO + A4-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(61527.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1805, + label = "BGHIF + OH <=> CH2CO + A4-", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=0, Ea=(44066.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1806, + label = "A2R5- + A1- => BGHIF + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6e+17,'cm^3/(mol*s)'), n=0, Ea=(196429,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1807, + label = "A3- + C4H4 <=> C18H12 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+33,'cm^3/(mol*s)'), n=-5.7, Ea=(106010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1808, + label = "INDENE + INDENYL => C18H12 + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.1e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1809, + label = "A2C2H + A1- <=> C18H12 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1810, + label = "A2C2H* + A1 <=> C18H12 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1811, + label = "INDENYL + INDENYL => C18H12 + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6e+17,'cm^3/(mol*s)'), n=0, Ea=(196429,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1812, + label = "C18H12 + O <=> C18H11 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(61527.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1813, + label = "C18H12 + H <=> C18H11 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(303,'cm^3/(mol*s)'), n=3.3, Ea=(23862.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1814, + label = "C18H12 + OH <=> C18H11 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.42, Ea=(6092.6,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1815, + label = "C18H11 + O2 => HCO + CO + A4", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(30763.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1816, + label = "C18H11 + H <=> BGHIF + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1817, + label = "C18H11 + C2H => BAPYR", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(5.24e+14,'cm^3/(mol*s)'), n=-0.5, Ea=(2910.07,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1818, + label = "C18H11 + C2H2 <=> BAPYR + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.1e+24,'cm^3/(mol*s)'), n=-3.36, Ea=(73998.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1819, + label = "A3C2H* + C4H4 <=> BAPYR + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+33,'cm^3/(mol*s)'), n=-5.7, Ea=(106010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1820, + label = "A4- + C4H4 <=> BAPYR + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+33,'cm^3/(mol*s)'), n=-5.7, Ea=(106010,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1821, + label = "P2 + A1C2H- => BAPYR + H2 + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.1e+24,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1822, + label = "P2- + A1C2H3* => BAPYR + H2 + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(8.3e+38,'cm^3/(mol*s)'), n=-6.3, Ea=(187325,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1823, + label = "P2- + A1C2H2 => BAPYR + H2 + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(8.3e+38,'cm^3/(mol*s)'), n=-6.3, Ea=(187325,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1824, + label = "A2R5- + A1C2H- <=> BAPYR", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.3e+38,'cm^3/(mol*s)'), n=-6.3, Ea=(187325,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1825, + label = "A2R5 + A1C2H- <=> BAPYR + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.1e+25,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1826, + label = "A2R5- + A1C2H <=> BAPYR + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.1e+25,'cm^3/(mol*s)'), n=-2.92, Ea=(66598.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1827, + label = "BAPYR + O <=> HCCO + C18H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(174604,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1828, + label = "BAPYR + OH <=> CH2CO + C18H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=0, Ea=(44066.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1829, + label = "A2C2H* + A1C2H2 <=> BAPYR + H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+17,'cm^3/(mol*s)'), n=0, Ea=(196429,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1830, + label = "A2C2H* + A1C2H3* <=> BAPYR + H + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+17,'cm^3/(mol*s)'), n=0, Ea=(196429,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1831, + label = "P2- + A1C2H- => BAPYR + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6e+17,'cm^3/(mol*s)'), n=0, Ea=(196429,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1832, + label = "BAPYR*S + H <=> BAPYR", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1833, + label = "BAPYR*S + O2 => HCO + CO + BGHIF", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(30763.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1834, + label = "C3H2 + C3H2 <=> C6H2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1835, + label = "C4H + H <=> C4H2", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1e+17,'cm^3/(mol*s)'), n=-1, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.75e+33,'cm^6/(mol^2*s)'), n=-4.8, Ea=(7938.44,'J/mol'), T0=(1,'K')), alpha=0.6464, T3=(132,'K'), T1=(1315,'K'), T2=(5566,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1836, + label = "C4H2 + OH <=> C4H + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.15e+09,'cm^3/(mol*s)'), n=1.03, Ea=(90862.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1837, + label = "C4H2 + C2H <=> C6H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.3e+13,'cm^3/(mol*s)'), n=0.28, Ea=(-307.635,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1838, + label = "C2H2 + C4H <=> C6H2 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1839, + label = "C4H + C2H <=> C6H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1840, + label = "C6H + H <=> C6H2", + degeneracy = 1.0, + kinetics = Troe(arrheniusHigh=Arrhenius(A=(1e+17,'cm^3/(mol*s)'), n=-1, Ea=(0,'J/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.75e+33,'cm^6/(mol^2*s)'), n=-4.8, Ea=(7938.44,'J/mol'), T0=(1,'K')), alpha=0.6464, T3=(132,'K'), T1=(1315,'K'), T2=(5566,'K'), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1841, + label = "C6H2 + OH <=> C6H + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.15e+09,'cm^3/(mol*s)'), n=1.03, Ea=(90862.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1842, + label = "C6H2 + C2H <=> Octatetrayne + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1843, + label = "C4H2 + C4H <=> Octatetrayne + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1844, + label = "C2H2 + C6H <=> Octatetrayne + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1845, + label = "C4H2 + C4H2 => Octatetrayne + H + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.51e+14,'cm^3/(mol*s)'), n=0, Ea=(233971,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1846, + label = "C4H2 + C4H2 => Octatetrayne + H2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1.51e+13,'cm^3/(mol*s)'), n=0, Ea=(178409,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1847, + label = "Octatetrayne <=> C8H + H", + degeneracy = 1.0, + kinetics = ThirdBody(arrheniusLow=Arrhenius(A=(5e+16,'cm^3/(mol*s)'), n=0, Ea=(335073,'J/mol'), T0=(1,'K')), efficiencies={}), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1848, + label = "Octatetrayne + OH <=> C8H + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.15e+09,'cm^3/(mol*s)'), n=1.03, Ea=(90862.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1849, + label = "Octatetrayne + C2H <=> Decapentayne + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1850, + label = "C6H2 + C4H <=> Decapentayne + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1851, + label = "C4H2 + C6H <=> Decapentayne + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1852, + label = "C2H2 + C8H => Decapentayne + H", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(6.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1853, + label = "C8H + C2H <=> Decapentayne", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1854, + label = "C6H + C4H <=> Decapentayne", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1855, + label = "iC10H22 <=> p-iC10H21 + H", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(5.748e+17,'s^-1'), n=-0.36, Ea=(422827,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.919e+17,'s^-1'), n=-0.36, Ea=(419484,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1856, + label = "iC10H22 <=> s-iC10H21 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.299e+18,'s^-1'), n=-0.721, Ea=(412507,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1857, + label = "iC10H22 <=> t-iC10H21 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.146e+19,'s^-1'), n=-0.941, Ea=(398719,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1858, + label = "CH3 + iC9H19 <=> iC10H22", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1859, + label = "iC3H7 + iC7H15 <=> iC10H22", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1860, + label = "iC4H9 + iC6H13 <=> iC10H22", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1861, + label = "iC5H11 + iC5H11 <=> iC10H22", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1862, + label = "iC10H22 + H <=> p-iC10H21 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(564000,'cm^3/(mol*s)'), n=2.75, Ea=(26275.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1863, + label = "iC10H22 + H <=> s-iC10H21 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(574000,'cm^3/(mol*s)'), n=2.49, Ea=(17255,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1864, + label = "iC10H22 + H <=> t-iC10H21 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2.4, Ea=(10807.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1865, + label = "iC10H22 + O <=> p-iC10H21 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(885000,'cm^3/(mol*s)'), n=2.5, Ea=(15250.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1866, + label = "iC10H22 + O <=> s-iC10H21 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(191000,'cm^3/(mol*s)'), n=2.71, Ea=(8811.68,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1867, + label = "iC10H22 + O <=> t-iC10H21 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(766000,'cm^3/(mol*s)'), n=2.41, Ea=(3736.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1868, + label = "iC10H22 + OH <=> p-iC10H21 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.34e+07,'cm^3/(mol*s)'), n=1.8, Ea=(5987.25,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1869, + label = "iC10H22 + OH <=> s-iC10H21 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=2, Ea=(-4740.91,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1870, + label = "iC10H22 + OH <=> t-iC10H21 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.4e+06,'cm^3/(mol*s)'), n=1.9, Ea=(-6071.23,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1871, + label = "iC10H22 + CH3 <=> p-iC10H21 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.441,'cm^3/(mol*s)'), n=3.87, Ea=(28484.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1872, + label = "iC10H22 + CH3 <=> s-iC10H21 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(105000,'cm^3/(mol*s)'), n=2.26, Ea=(30488.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1873, + label = "iC10H22 + CH3 <=> t-iC10H21 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(17900,'cm^3/(mol*s)'), n=2.33, Ea=(25719.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1874, + label = "p-iC10H21 <=> iC9H18 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1875, + label = "p-iC10H21 <=> s-iC10H20 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1876, + label = "p-iC10H21 <=> C3H6 + iC7H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1877, + label = "s-iC10H21 <=> s-iC10H20 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1878, + label = "s-iC10H21 <=> t-iC10H20 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1879, + label = "s-iC10H21 <=> iC9H18 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1880, + label = "s-iC10H21 <=> iC7H14 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1881, + label = "s-iC10H21 <=> iC6H12 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1882, + label = "s-iC10H21 + O2 <=> t-iC10H20 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(21002.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1883, + label = "s-iC10H21 + O2 <=> s-iC10H20 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(21002.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1884, + label = "t-iC10H21 <=> s-iC10H20 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1885, + label = "t-iC10H21 <=> t-iC10H20 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1886, + label = "t-iC10H21 <=> iC4H8 + iC6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1887, + label = "t-iC10H21 + O2 <=> t-iC10H20 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(21002.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1888, + label = "p-iC10H21 <=> s-iC10H21", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(3.43e+06,'s^-1'), n=0.871, Ea=(36974.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.51e+10,'s^-1'), n=-0.354, Ea=(47848.1,'J/mol'), T0=(1,'K')), Arrhenius(A=(6.38e+11,'s^-1'), n=-0.551, Ea=(51475.7,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.81e+09,'s^-1'), n=0.123, Ea=(48626.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.33e+06,'s^-1'), n=1.024, Ea=(43517.9,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1889, + label = "p-iC10H21 <=> t-iC10H21", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(12,'s^-1'), n=2.588, Ea=(49923.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.48e+10,'s^-1'), n=-0.089, Ea=(72002.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.02e+14,'s^-1'), n=-1.009, Ea=(82060.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.82e+11,'s^-1'), n=-0.267, Ea=(79952,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.56e+07,'s^-1'), n=1.067, Ea=(72592.8,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1890, + label = "s-iC10H21 <=> t-iC10H21", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(2.04e+07,'s^-1'), n=0.769, Ea=(64822.9,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.18e+13,'s^-1'), n=-1.022, Ea=(81948.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.39e+14,'s^-1'), n=-1.128, Ea=(87320.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.39e+10,'s^-1'), n=0.18, Ea=(81889.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(219000,'s^-1'), n=1.765, Ea=(73002.7,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1891, + label = "s-iC10H20 <=> s-iC10H19 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+19,'s^-1'), n=0, Ea=(415724,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1892, + label = "s-iC10H20 <=> iC9H17 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+17,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1893, + label = "s-iC10H20 <=> iC7H13 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1894, + label = "s-iC10H20 <=> iC6H11 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1895, + label = "t-iC10H20 <=> t-iC10H19 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+19,'s^-1'), n=0, Ea=(415724,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1896, + label = "t-iC10H20 <=> s-iC10H19 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+19,'s^-1'), n=0, Ea=(415724,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1897, + label = "t-iC10H20 <=> iC9H17 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+17,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1898, + label = "t-iC10H20 <=> iC6H13 + iC4H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1899, + label = "t-iC10H20 <=> iC7H13 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1900, + label = "t-iC10H20 <=> iC6H11 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1901, + label = "t-iC10H20 <=> iC5H11 + iC5H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1902, + label = "s-iC10H19 <=> iC6H11 + iC4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1903, + label = "s-iC10H19 <=> iC5H10 + iC5H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1904, + label = "t-iC10H19 <=> iC6H12 + iC4H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1905, + label = "t-iC10H19 <=> iC6H11 + iC4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1906, + label = "t-iC10H19 <=> iC5H10 + iC5H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1907, + label = "iC9H19 <=> iC9H18 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(157975,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1908, + label = "iC9H19 <=> iC6H13 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.33e+12,'s^-1'), n=0.498, Ea=(116319,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1909, + label = "iC9H18 <=> iC9H17 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.88e+19,'s^-1'), n=0, Ea=(415724,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1910, + label = "iC9H18 <=> nC8H15 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+17,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1911, + label = "iC9H18 <=> iC6H13 + C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1912, + label = "iC9H18 <=> C6H11 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1913, + label = "iC9H18 <=> iC5H11 + nC4H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1914, + label = "iC9H18 <=> C5H9 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1915, + label = "iC9H18 + H <=> iC9H17 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(16213.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1916, + label = "iC9H18 + OH <=> iC9H17 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(5113.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1917, + label = "iC9H18 + O <=> iC9H17 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(16628.9,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1918, + label = "iC9H18 + CH3 <=> iC9H17 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(30514.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1919, + label = "iC9H17 <=> iC6H12 + C3H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1920, + label = "iC9H17 <=> C6H10 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1921, + label = "iC9H17 <=> iC5H10 + nC4H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1922, + label = "iC9H17 <=> C5H9 + iC4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1923, + label = "iC9H17 <=> C5H8 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(186244,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1924, + label = "2-methyldecane <=> p-iC11H23 + H", + degeneracy = 1.0, + kinetics = MultiArrhenius(arrhenius=[Arrhenius(A=(5.748e+17,'s^-1'), n=-0.36, Ea=(422827,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.919e+17,'s^-1'), n=-0.36, Ea=(419484,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1925, + label = "2-methyldecane <=> s-iC11H23 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.299e+18,'s^-1'), n=-0.721, Ea=(412507,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1926, + label = "2-methyldecane <=> t-iC11H23 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.146e+19,'s^-1'), n=-0.941, Ea=(398719,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1927, + label = "CH3 + sC10H21 <=> 2-methyldecane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1928, + label = "CH3 + p-iC10H21 <=> 2-methyldecane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1929, + label = "iC9H19 + C2H5 <=> 2-methyldecane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1930, + label = "nC8H17 + iC3H7 <=> 2-methyldecane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1931, + label = "p-iC8H17 + nC3H7 <=> 2-methyldecane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1932, + label = "C7H15 + iC4H9 <=> 2-methyldecane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1933, + label = "iC7H15 + pC4H9 <=> 2-methyldecane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1934, + label = "iC6H13 + C5H11 <=> 2-methyldecane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1935, + label = "C6H13 + iC5H11 <=> 2-methyldecane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1936, + label = "2-methyldecane + H <=> p-iC11H23 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(564000,'cm^3/(mol*s)'), n=2.75, Ea=(26275.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1937, + label = "2-methyldecane + H <=> s-iC11H23 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.02e+06,'cm^3/(mol*s)'), n=2.49, Ea=(17255,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1938, + label = "2-methyldecane + H <=> t-iC11H23 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(602000,'cm^3/(mol*s)'), n=2.4, Ea=(10807.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1939, + label = "2-methyldecane + O <=> p-iC11H23 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(885000,'cm^3/(mol*s)'), n=2.5, Ea=(15250.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1940, + label = "2-methyldecane + O <=> s-iC11H23 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(334000,'cm^3/(mol*s)'), n=2.71, Ea=(8811.68,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1941, + label = "2-methyldecane + O <=> t-iC11H23 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(383000,'cm^3/(mol*s)'), n=2.41, Ea=(3736.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1942, + label = "2-methyldecane + OH <=> p-iC11H23 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.34e+07,'cm^3/(mol*s)'), n=1.8, Ea=(5987.25,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1943, + label = "2-methyldecane + OH <=> s-iC11H23 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.3e+06,'cm^3/(mol*s)'), n=2, Ea=(-4740.91,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1944, + label = "2-methyldecane + OH <=> t-iC11H23 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+06,'cm^3/(mol*s)'), n=1.9, Ea=(-6071.23,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1945, + label = "2-methyldecane + CH3 <=> p-iC11H23 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.441,'cm^3/(mol*s)'), n=3.87, Ea=(28484.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1946, + label = "2-methyldecane + CH3 <=> s-iC11H23 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(190000,'cm^3/(mol*s)'), n=2.26, Ea=(30488.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1947, + label = "2-methyldecane + CH3 <=> t-iC11H23 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8960,'cm^3/(mol*s)'), n=2.33, Ea=(25719.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1948, + label = "p-iC11H23 <=> s-iC11H22 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1949, + label = "p-iC11H23 <=> t-iC11H22 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1950, + label = "p-iC11H23 <=> nC10H20 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1951, + label = "p-iC11H23 <=> C2H4 + iC9H19", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1952, + label = "p-iC11H23 <=> nC8H17 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1953, + label = "p-iC11H23 <=> C8H16 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1954, + label = "p-iC11H23 + O2 <=> p-iC11H22 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(21002.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1955, + label = "s-iC11H23 <=> s-iC11H22 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1956, + label = "s-iC11H23 <=> t-iC11H22 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1957, + label = "s-iC11H23 <=> nC10H20 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1958, + label = "s-iC11H23 <=> p-iC8H17 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1959, + label = "s-iC11H23 <=> iC9H18 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1960, + label = "s-iC11H23 <=> iC8H16 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1961, + label = "s-iC11H23 <=> C8H16 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1962, + label = "s-iC11H23 <=> iC7H15 + C4H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1963, + label = "s-iC11H23 <=> iC7H14 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1964, + label = "s-iC11H23 <=> C7H14 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1965, + label = "s-iC11H23 <=> C6H13 + iC5H10", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1966, + label = "s-iC11H23 <=> iC6H13 + C5H10", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1967, + label = "s-iC11H23 <=> C6H12 + iC5H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1968, + label = "s-iC11H23 <=> iC6H12 + C5H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1969, + label = "s-iC11H23 + O2 <=> p-iC11H22 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+11,'cm^3/(mol*s)'), n=0, Ea=(21002.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1970, + label = "s-iC11H23 + O2 <=> s-iC11H22 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+11,'cm^3/(mol*s)'), n=0, Ea=(21002.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1971, + label = "t-iC11H23 <=> p-iC11H22 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1972, + label = "t-iC11H23 <=> nC10H20 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1973, + label = "t-iC11H23 <=> iC9H19 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1974, + label = "t-iC11H23 <=> nC8H17 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1975, + label = "t-iC11H23 + O2 <=> t-iC11H22 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(21002.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1976, + label = "p-iC11H23 <=> s-iC11H23", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(3.43e+06,'s^-1'), n=0.871, Ea=(36974.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.51e+10,'s^-1'), n=-0.354, Ea=(47848.1,'J/mol'), T0=(1,'K')), Arrhenius(A=(6.38e+11,'s^-1'), n=-0.551, Ea=(51475.7,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.81e+09,'s^-1'), n=0.123, Ea=(48626.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.33e+06,'s^-1'), n=1.024, Ea=(43517.9,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1977, + label = "p-iC11H23 <=> t-iC11H23", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(12,'s^-1'), n=2.588, Ea=(49923.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.48e+10,'s^-1'), n=-0.089, Ea=(72002.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.02e+14,'s^-1'), n=-1.009, Ea=(82060.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.82e+11,'s^-1'), n=-0.267, Ea=(79952,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.56e+07,'s^-1'), n=1.067, Ea=(72592.8,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1978, + label = "s-iC11H23 <=> t-iC11H23", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(2.04e+07,'s^-1'), n=0.769, Ea=(64822.9,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.18e+13,'s^-1'), n=-1.022, Ea=(81948.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.39e+14,'s^-1'), n=-1.128, Ea=(87320.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.39e+10,'s^-1'), n=0.18, Ea=(81889.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(219000,'s^-1'), n=1.765, Ea=(73002.7,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1979, + label = "p-iC11H22 <=> s-iC11H21 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+17,'s^-1'), n=0, Ea=(415724,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1980, + label = "p-iC11H22 <=> nC8H15 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1981, + label = "p-iC11H22 <=> C7H13 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1982, + label = "p-iC11H22 <=> iC7H15 + nC4H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1983, + label = "p-iC11H22 <=> iC6H13 + C5H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1984, + label = "s-iC11H22 <=> s-iC11H21 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+17,'s^-1'), n=0, Ea=(415724,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1985, + label = "s-iC11H22 <=> t-iC11H21 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+17,'s^-1'), n=0, Ea=(415724,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1986, + label = "s-iC11H22 <=> iC9H17 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1987, + label = "s-iC11H22 <=> nC8H15 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1988, + label = "s-iC11H22 <=> C7H13 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1989, + label = "s-iC11H22 <=> C6H11 + iC5H11", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1990, + label = "s-iC11H22 <=> iC6H13 + C5H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1991, + label = "t-iC11H22 <=> s-iC11H21 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+17,'s^-1'), n=0, Ea=(415724,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1992, + label = "t-iC11H22 <=> iC9H17 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1993, + label = "t-iC11H22 <=> iC8H15 + nC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1994, + label = "t-iC11H22 <=> iC7H13 + pC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1995, + label = "t-iC11H22 <=> C6H13 + iC5H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1996, + label = "t-iC11H22 <=> C7H15 + iC4H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+16,'s^-1'), n=0, Ea=(291007,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1997, + label = "s-iC11H21 <=> C6H11 + iC5H10", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(236131,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1998, + label = "s-iC11H21 <=> iC4H8 + C7H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(236131,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 1999, + label = "t-iC11H21 <=> iC8H15 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(236131,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2000, + label = "t-iC11H21 <=> C4H8 + iC7H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0, Ea=(236131,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2001, + label = "a-iC15H31 + H <=> Farnesane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2002, + label = "b-iC15H31 + H <=> Farnesane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2003, + label = "c-iC15H31 + H <=> Farnesane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2004, + label = "d-iC15H31 + H <=> Farnesane", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2005, + label = "Farnesane <=> b-iC13H27 + C2H5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+16,'s^-1'), n=0, Ea=(319691,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2006, + label = "Farnesane <=> d-iC12H25 + iC3H7", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+16,'s^-1'), n=0, Ea=(319691,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2007, + label = "Farnesane <=> p-iC11H23 + sC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+16,'s^-1'), n=0, Ea=(314038,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2008, + label = "Farnesane <=> p-iC11H23 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+16,'s^-1'), n=0, Ea=(314038,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2009, + label = "Farnesane <=> s-iC8H17 + iC7H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+16,'s^-1'), n=0, Ea=(310130,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2010, + label = "Farnesane + H <=> a-iC15H31 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(752000,'cm^3/(mol*s)'), n=2.75, Ea=(26275.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2011, + label = "Farnesane + H <=> b-iC15H31 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.02e+06,'cm^3/(mol*s)'), n=2.49, Ea=(17255,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2012, + label = "Farnesane + H <=> c-iC15H31 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.81e+06,'cm^3/(mol*s)'), n=2.4, Ea=(10807.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2013, + label = "Farnesane + H <=> d-iC15H31 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(188000,'cm^3/(mol*s)'), n=2.75, Ea=(26275.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2014, + label = "Farnesane + O <=> a-iC15H31 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.14e+06,'cm^3/(mol*s)'), n=2.5, Ea=(15250.4,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2015, + label = "Farnesane + O <=> b-iC15H31 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(334000,'cm^3/(mol*s)'), n=2.71, Ea=(8811.68,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2016, + label = "Farnesane + O <=> c-iC15H31 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.15e+06,'cm^3/(mol*s)'), n=2.41, Ea=(3736.52,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2017, + label = "Farnesane + O <=> d-iC15H31 + OH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.13e+14,'cm^3/(mol*s)'), n=0, Ea=(32844.7,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2018, + label = "Farnesane + OH <=> a-iC15H31 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.12e+07,'cm^3/(mol*s)'), n=1.8, Ea=(5987.25,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2019, + label = "Farnesane + OH <=> b-iC15H31 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.3e+06,'cm^3/(mol*s)'), n=2, Ea=(-4740.91,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2020, + label = "Farnesane + OH <=> c-iC15H31 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.1e+06,'cm^3/(mol*s)'), n=1.9, Ea=(-6071.23,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2021, + label = "Farnesane + OH <=> d-iC15H31 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.05e+10,'cm^3/(mol*s)'), n=0.97, Ea=(6635.78,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2022, + label = "Farnesane + CH3 <=> a-iC15H31 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.588,'cm^3/(mol*s)'), n=3.87, Ea=(28484.5,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2023, + label = "Farnesane + CH3 <=> b-iC15H31 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(190000,'cm^3/(mol*s)'), n=2.26, Ea=(30488.8,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2024, + label = "Farnesane + CH3 <=> c-iC15H31 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(26900,'cm^3/(mol*s)'), n=2.33, Ea=(25719.2,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2025, + label = "Farnesane + CH3 <=> d-iC15H31 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.904,'cm^3/(mol*s)'), n=3.65, Ea=(29932.1,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2026, + label = "a-iC15H31 <=> iC15H30 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2027, + label = "a-iC15H31 <=> iC14H28 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2028, + label = "a-iC15H31 <=> iC9H18 + iC6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2029, + label = "a-iC15H31 <=> iC8H16 + iC7H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2030, + label = "a-iC15H31 <=> C4H8 + p-iC11H23", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2031, + label = "a-iC15H31 <=> C3H6 + d-iC12H25", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2032, + label = "d-iC15H31 <=> C2H4 + b-iC13H27", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2033, + label = "b-iC15H31 <=> iC15H30 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2034, + label = "b-iC15H31 <=> iC14H28 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.9e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2035, + label = "b-iC15H31 <=> p-iC11H22 + iC4H9", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.76e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2036, + label = "b-iC15H31 <=> iC9H18 + iC6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2037, + label = "b-iC15H31 <=> iC8H16 + iC7H15", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2038, + label = "b-iC15H31 <=> iC7H14 + s-iC8H17", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2039, + label = "b-iC15H31 <=> iC6H12 + iC9H19", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.76e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2040, + label = "b-iC15H31 <=> iC5H10 + p-iC10H21", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2041, + label = "b-iC15H31 <=> C4H8 + p-iC11H23", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2042, + label = "c-iC15H31 <=> iC15H30 + H", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2043, + label = "c-iC15H31 <=> iC14H28 + CH3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2044, + label = "c-iC15H31 <=> iC9H18 + iC6H13", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2045, + label = "c-iC15H31 <=> iC5H10 + p-iC10H21", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2046, + label = "c-iC15H31 <=> iC4H8 + p-iC11H23", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2047, + label = "a-iC15H31 <=> b-iC15H31", + degeneracy = 1.0, + kinetics = MultiPDepArrhenius(arrhenius=[PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(3.43e+06,'s^-1'), n=0.871, Ea=(36974.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.51e+10,'s^-1'), n=-0.354, Ea=(47848.1,'J/mol'), T0=(1,'K')), Arrhenius(A=(6.38e+11,'s^-1'), n=-0.551, Ea=(51475.7,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.81e+09,'s^-1'), n=0.123, Ea=(48626.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.33e+06,'s^-1'), n=1.024, Ea=(43517.9,'J/mol'), T0=(1,'K'))]), PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(12,'s^-1'), n=2.588, Ea=(49923.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.48e+10,'s^-1'), n=-0.089, Ea=(72002.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.02e+14,'s^-1'), n=-1.009, Ea=(82060.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.82e+11,'s^-1'), n=-0.267, Ea=(79952,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.56e+07,'s^-1'), n=1.067, Ea=(72592.8,'J/mol'), T0=(1,'K'))])]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2048, + label = "a-iC15H31 <=> c-iC15H31", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(12,'s^-1'), n=2.588, Ea=(49923.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.48e+10,'s^-1'), n=-0.089, Ea=(72002.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.02e+14,'s^-1'), n=-1.009, Ea=(82060.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(5.82e+11,'s^-1'), n=-0.267, Ea=(79952,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.56e+07,'s^-1'), n=1.067, Ea=(72592.8,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2049, + label = "d-iC15H31 <=> a-iC15H31", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(8.75e-10,'s^-1'), n=5.594, Ea=(25673.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.08,'s^-1'), n=2.898, Ea=(45953.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.64e+07,'s^-1'), n=0.848, Ea=(62856.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.73e+09,'s^-1'), n=0.374, Ea=(68981.8,'J/mol'), T0=(1,'K')), Arrhenius(A=(8.06e+06,'s^-1'), n=1.171, Ea=(65429.1,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2050, + label = "b-iC15H31 <=> c-iC15H31", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(2.04e+07,'s^-1'), n=0.769, Ea=(64822.9,'J/mol'), T0=(1,'K')), Arrhenius(A=(7.18e+13,'s^-1'), n=-1.022, Ea=(81948.3,'J/mol'), T0=(1,'K')), Arrhenius(A=(4.39e+14,'s^-1'), n=-1.128, Ea=(87320.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.39e+10,'s^-1'), n=0.18, Ea=(81889.2,'J/mol'), T0=(1,'K')), Arrhenius(A=(219000,'s^-1'), n=1.765, Ea=(73002.7,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2051, + label = "d-iC15H31 <=> b-iC15H31", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(7.45e-12,'s^-1'), n=6.23, Ea=(26756.8,'J/mol'), T0=(1,'K')), Arrhenius(A=(0.169,'s^-1'), n=3.25, Ea=(49015.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(2.66e+07,'s^-1'), n=0.926, Ea=(68002.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(6.01e+09,'s^-1'), n=0.316, Ea=(75282.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.8e+07,'s^-1'), n=1.115, Ea=(71847.8,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2052, + label = "d-iC15H31 <=> c-iC15H31", + degeneracy = 1.0, + kinetics = PDepArrhenius(pressures=([0.1,1,10,100,1000],'atm'), arrhenius=[Arrhenius(A=(0.0929,'s^-1'), n=3.131, Ea=(17363.9,'J/mol'), T0=(1,'K')), Arrhenius(A=(21800,'s^-1'), n=1.594, Ea=(29254.5,'J/mol'), T0=(1,'K')), Arrhenius(A=(1.16e+08,'s^-1'), n=0.548, Ea=(38241.6,'J/mol'), T0=(1,'K')), Arrhenius(A=(3.84e+08,'s^-1'), n=0.442, Ea=(40689.4,'J/mol'), T0=(1,'K')), Arrhenius(A=(6.48e+06,'s^-1'), n=0.995, Ea=(38020.4,'J/mol'), T0=(1,'K'))]), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2053, + label = "b-iC13H27 <=> p-iC10H21 + C3H6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38e+13,'s^-1'), n=0.17, Ea=(125166,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2054, + label = "d-iC12H25 <=> p-iC10H21 + C2H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'s^-1'), n=0.13, Ea=(120843,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2055, + label = "s-iC11H23 + C3H5 <=> iC14H28", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2056, + label = "s-iC11H21 + iC3H7 <=> iC14H28", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2057, + label = "p-iC10H21 + iC4H7 <=> iC14H28", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2058, + label = "iC9H19 + iC5H9 <=> iC14H28", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.15e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2059, + label = "iC9H17 + iC5H11 <=> iC14H28", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.15e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2060, + label = "s-iC8H17 + iC6H11 <=> iC14H28", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.15e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2061, + label = "iC6H13 + iC8H15 <=> iC14H28", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.15e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2062, + label = "d-iC12H25 + C3H5 <=> iC15H30", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2063, + label = "p-iC11H23 + iC4H7 <=> iC15H30", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2064, + label = "p-iC10H21 + iC5H9 <=> iC15H30", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.15e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2065, + label = "iC9H19 + iC6H11 <=> iC15H30", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.15e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2066, + label = "iC7H15 + iC8H15 <=> iC15H30", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.15e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), + longDesc = +""" +Originally from reaction library: Unclassified +""", +) + +entry( + index = 2101, + label = "C2H2 + CH2OH + H + H <=> C3H6OH", + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(1457,'cal/mol'), T0=(1,'K')), +) + +entry( + index = 2102, + label = "C3H4 + OH + H + H <=> C3H6OH", + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(1457,'cal/mol'), T0=(1,'K')), +) + +entry( + index = 2103, + label = "nC4H9O-4 + O2 <=> nC3H7CHO + HO2", + kinetics = Arrhenius(A=(4.683E+11,'cm^3/(mol*s)'), n=0.33, Ea=(-534.422,'cal/mol'), T0=(1,'K')), + longDesc = +""" +nC4H9O-4 + O2 = nC3H7CHO + HO2 4.683E+11 0.330 -534.422 !k51, [k52] + DUPLICATE +nC4H9O-4 + O2 = nC3H7CHO + HO2 0.000 0.000 0.00 !k51, [k52] + DUPLICATE + PLOG/0.00986923 4.830E+15 -0.8809 445.704/ + PLOG/0.0986923 4.910E+15 -0.8828 448.287/ + PLOG/0.986923 5.730E+15 -0.9015 473.463/ + PLOG/9.86923 1.900E+16 -1.0462 675.802/ + PLOG/98.6923 4.500E+17 -1.4228 1369.89/ +""", +) + +entry( + index = 2104, + label = "DECALIN => C3H5 + C3H5 + C2H4 + C2H4", + kinetics = Arrhenius(A=(2e+16,'cm^3/(mol*s)'), n=0, Ea=(41708.5,'cal/mol'), T0=(1,'K')), +) + +entry( + index = 2105, + label = "cyC9H18 => C2H4 + C2H4 + C3H5 + C2H5", + kinetics = Arrhenius(A=(6.5e+16,'cm^3/(mol*s)'), n=0, Ea=(42211.1,'cal/mol'), T0=(1,'K')), +) + +entry( + index = 2106, + label = "cyC9H18 => C2H4 + C2H4 + C2H4 + C3H6", + kinetics = Arrhenius(A=(1.3e+17,'cm^3/(mol*s)'), n=0, Ea=(42211.1,'cal/mol'), T0=(1,'K')), +) + +entry( + index = 2107, + label = "RTETRALIN + O2 => CO + CO + A1- + H2 + C2H4", + kinetics = Arrhenius(A=(2.5e+11,'cm^3/(mol*s)'), n=0, Ea=(502.513,'cal/mol'), T0=(1,'K')), +) + +entry( + index = 2108, + label = "RTETRALIN + HO2 => OH + CO + C2H4 + C7H7", + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), +) + +entry( + index = 2109, + label = "DECALIN => C5H8 + C5H8 + H + H", + kinetics = Arrhenius(A=(1e+17,'cm^3/(mol*s)'), n=0, Ea=(39196,'cal/mol'), T0=(1,'K')), +) +