Title

A Dynamical Study of the H + CH3  CH4 Recombination Reaction

Document Type

Article

Publication Date

4-1985

Publication Source

Journal of Chemical Physics

Volume

82

Issue

8

Inclusive pages

3599-3606

DOI

10.1063/1.448918

Peer Reviewed

yes

Abstract

The Monte Carlo quasiclassical trajectory method is used to study the molecular dynamics of the H+CH3→CH4 association reaction. The bimolecular rate constant is calculated for a temperature of 300 K and compared with experimental measurements. Both the nature of the reactive trajectories and the bimolecular rate constant are very sensitive to the shape of the C–H stretching potential energy curve.

Disciplines

Chemistry

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