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Author(s):
Rangel, C.; Espinosa-Garcia, J.
Title:
Potential energy surface for the CCl4+H«rarrow» CCl3+ClH reaction: Kinetics and dynamics study
Journal:
J. Chem. Phys.
Volume:
122
Page(s):
Year:
2005
Reference type:
Journal article
Squib:
2005RAN/ESP134315
Reaction:
CCl4 + H· → ·CCl3 + HCl
Reaction order:
2
Temperature:
300 - 2500
K
Rate expression:
no rate data available
Category: Theory
Data type:
Transition state theory
Comments:
Analytical potential energy surface of the reaction was constructed. Rate constants were calculated using variational transition state theory with tunneling correction. Although rate constants were obtained in the 300 - 2500 K range, no analytical k(T) expression was reported; values at individual temperatures are presented in a table.
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