diff --git a/input/kinetics/libraries/Klippenstein_Glarborg2016/reactions.py b/input/kinetics/libraries/Klippenstein_Glarborg2016/reactions.py index 240257944b..8d521a168b 100644 --- a/input/kinetics/libraries/Klippenstein_Glarborg2016/reactions.py +++ b/input/kinetics/libraries/Klippenstein_Glarborg2016/reactions.py @@ -11208,3 +11208,11 @@ shortDesc = u"""The chemkin file reaction is HOCH2CH2OO + C2H4 => CH2O + CH2OH + CH3CHO""", ) +entry( + index = 586, + label = "CH3OH + H <=> CH3 + H2O", + degeneracy = 1, + kinetics = Arrhenius(A=(2.9558e+5, 'cm^3/(mol*s)'), n=2.485, Ea=(5223, 'cal/mol'), T0=(1, 'K')), + shortDesc = u"""Added from Moses et al., Astrophysical Journal, 737:15 (37pp), 2011. The ab-initio calculation was done by Stephen J. Klippenstein at the QCISD(T)/CBS//QCISD(T)/cc-pVTZ with the spin-restricted formalism using the MOLPRO""", +) +