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Added the oxyHC library
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alongd committed Oct 9, 2023
1 parent 7502834 commit 5383c53
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60 changes: 60 additions & 0 deletions input/kinetics/libraries/oxyHC/dictionary.txt
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H
multiplicity 2
1 H u1 p0 c0

H2
1 H u0 p0 c0 {2,S}
2 H u0 p0 c0 {1,S}

OH
multiplicity 2
1 O u1 p2 c0 {2,S}
2 H u0 p0 c0 {1,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}

CO
1 C u0 p1 c-1 {2,T}
2 O u0 p1 c+1 {1,T}

HCO
multiplicity 2
1 C u1 p0 c0 {2,D} {3,S}
2 O u0 p2 c0 {1,D}
3 H u0 p0 c0 {1,S}

CO2
1 O u0 p2 c0 {2,D}
2 C u0 p0 c0 {1,D} {3,D}
3 O u0 p2 c0 {2,D}

HOCO
multiplicity 2
1 O u0 p2 c0 {2,S} {4,S}
2 C u1 p0 c0 {1,S} {3,D}
3 O u0 p2 c0 {2,D}
4 H u0 p0 c0 {1,S}

OCHO
multiplicity 2
1 O u1 p2 c0 {2,S}
2 C u0 p0 c0 {1,S} {3,D} {4,S}
3 O u0 p2 c0 {2,D}
4 H u0 p0 c0 {2,S}

HOCHO
1 O u0 p2 c0 {2,S} {4,S}
2 C u0 p0 c0 {1,S} {3,D} {5,S}
3 O u0 p2 c0 {2,D}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {2,S}

HOCOH
1 O u0 p1 c+1 {3,D} {4,S}
2 O u0 p2 c0 {3,S} {5,S}
3 C u0 p1 c-1 {1,D} {2,S}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {2,S}
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