From e249fb78253e9015786becffca0e50b0ebae7b7b Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Mon, 13 Nov 2023 10:16:13 +0200 Subject: [PATCH] label --- .../primaryNitrogenLibrary/reactions.py | 22 ------------------- 1 file changed, 22 deletions(-) diff --git a/input/kinetics/libraries/primaryNitrogenLibrary/reactions.py b/input/kinetics/libraries/primaryNitrogenLibrary/reactions.py index 692017201d..2553baec1b 100644 --- a/input/kinetics/libraries/primaryNitrogenLibrary/reactions.py +++ b/input/kinetics/libraries/primaryNitrogenLibrary/reactions.py @@ -6405,28 +6405,6 @@ """, ) -entry( - index=385, - label='HO2 + HNO <=> O2 + NH2O', - kinetics=Arrhenius(A=(0.00447159, 'cm^3/(mol*s)'), n=3.94392, Ea=(18.1401, 'kJ/mol'), - T0=(1, 'K'), Tmin=(300, 'K'), Tmax=(3000, 'K')), - shortDesc=u"""[GrinbergDana2024]""", - longDesc= - u""" - x86 - CCSD(T)-F12/cc-pvtz-f12//B2PLYPD3/aug-cc-pvtz - - Also available in reverse from [Sarathy2022], also in NOx2018, Glarborg-Zhang, Glarborg-Gimmenz. - Our rate in our direction is faster at lower Ts. - - kinetics = Arrhenius (A=(1.110e0, 'cm^3/(mol*s)'), n=3.489, Ea=(13900, 'cal/mol'), - T0=(1, 'K'), Tmin=(500, 'K'), Tmax=(1700, 'K')), - shortDesc = [Sarathy2022], - Table S2, Reaction R1, doublet surface. - Optimized and characterized the stationary points of the PESs with the ROCCSD method (Detailed in Table 1). - """, -) - entry( index=386, label='HO2 + N2H2 <=> NNH + H2O2',