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Title: Rate Coefficients and Mechanistic Analysis for the Reaction of Hydroxyl Radicals with 1,1-Dichloroethylene and trans-1,2-Dichloroethylene over an Extended Temperature Range
Journal: J. Phys. Chem. A
Volume: 105
Page(s): 7588 - 7607
Year: 2001
Reference type: Journal article
Squib: 2001YAM/ELS7588-7607
Reaction:
CH2=CCl2 + ·OH → Products
Reaction order:
2
Temperature:
300 - 1000
K
Pressure: 1.01E-3 - 1.01 bar
Rate expression:
no rate data available
Category: Theory
Data type:
Transition state theory
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using variational transition state theory and the QRRK method. Rate constants were calculated for a wide ranges of temperatures and pressures; however, no analytical expressions for these depndences are given. Instead, rate constants are presented in a graphical format.
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