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Author(s):   Yamada, T.; El-Sinawi, A.; Siraj, M.; Taylor, P.H.; Peng, J.; Hu, X.; Marshall, P.
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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