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Rangel, C.; Navarrete, M.; Corchado, J.C.; Espinosa-Garcia, J.
Potential energy surface, kinetics, and dynamics study of the Cl+CH4 -> HCl+CH3 reaction
J. Chem. Phys.
CH2D2 + ·Cl → Products
CH4 + ·Cl → ·CH3 + HCl
Reference reaction order:
150 - 2500
no rate data available
Transition state theory
Reaction potential energy surface was studied using quantum chemistry and earlier studies and rate constants were calculated using transition state theory with tunneling correction. Kinetic isotope effects were calculated for a wide range of temperatures; however, no anaytical expressions are given. Instead, kinetic isotope effects for individual temperatures are presented in a tabular format.
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