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Author(s):   Gonzalez-Garcia, N.; Gonzalez-Lafont, A.; Lluch, J.M.
Title:   Variational transition-state theory study of the dimethyl sulfoxide (DMSO) and OH reaction
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   798 - 808
Year:   2006
Reference type:   Journal article
Squib:   2006GON/GON798-808

Reaction:   (CH3)2SO + ·OHCH3OH + CH3S(O)
Reaction order:   2
Reference reaction:   (CH3)2SO + ·OH → Products
Reference reaction order:   2
Temperature:   298 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using variational transition state theory with tunneling correction. Rate constants were calculated for a wide range of temperatures; however, no Arrhenius expression is given for the k(T) dependence. Instead, rate constants for individual temperatures are presented in a tabular format. This reaction channel producing CH3SO and methanol is unimportant under all conditions.

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