Title

Sensitivity of the H + CH3  CH4 Recombination Rate Constant to the Shape of the CH Stretching Potential”,

Document Type

Article

Publication Date

1984

Publication Source

Chemical Physics Letters

Volume

110

Issue

5

Inclusive pages

474-477

DOI

10.1016/0009-2614(84)87073-6

Peer Reviewed

yes

Abstract

The Monte Carloquasiclassical trajectory method is used to study the molecular dynamics of the H+CH3→CH4association 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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