A dynamical study of the H+CH3→CH4 recombination reaction
- 15 April 1985
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 82 (8) , 3599-3606
- https://doi.org/10.1063/1.448918
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.Keywords
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