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Accessibility information
Author(s):   Chan, B.; Radom, L.
Title:   Approaches for Obtaining Accurate Rate Constants for Hydrogen Abstraction by a Chlorine Atom
Journal:   J. Phys. Chem. A
Volume:   116
Page(s):   3745 - 3752
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012CHA/RAD3745-3752

Reaction:   CH2F2 + ·Cl·CHF2 + HCl
Reaction order:   2
Temperature:   298 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 were calculated using transition state theory. Several methods were used. The calculated values of rate constants are not reported; instead, relative deviations from the experimental literature values are given in a table for 298 K.

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