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Author(s):   Tian, W.; Wang, W.L.; Zhang, Y.; Wang, W.N.
Title:   Direct Dynamics Study on the Mechanism and the Kinetics of the Reaction of CH3NH2 With OH
Journal:   Int. J. Quant. Chem.
Volume:   109
Page(s):   1566 - 1575
Year:   2009
Reference type:   Journal article
Squib:   2009TIA/WAN1566-1575

Reaction:   CH3NH2 + ·OHH2O + CH2NH2
Reaction order:   2
Reference reaction:   CH3NH2 + ·OH → Products
Reference reaction order:   2
Temperature:   299 - 3000 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants and channel branching fractions were calculated using transition state theory with tunneling correction. Rate constants and channel branching fractions were calculated for a wide range of temperatures; however, no Arrhenius expressions are given. Instead, and branching fractions for individual temperatures are presented in a tabular format.

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