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©NIST, 2013
Accessibility information
Author(s):   Krotos, L.; Czako, G.
Title:   Does the Cl + CH4 -> H + CH3Cl Reaction Proceed via Walden Inversion?
Journal:   J. Phys. Chem. A
Volume:   121
Page(s):   9415 - 9420
Year:   2017
Reference type:   Journal article
Squib:   2017KRO/CZA9415-9420

Reaction:   CH4 + ·ClCH3Cl +
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Other theoretical
Comments:   A new global ab initio full-dimensional potential energy surface (PES) for the title reaction was developed. The kinetics of the reaction was studied using quasiclassical trajectory simulations. No thermal rate constants were obtained.

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