Sensitivity of the H + CH3 CH4 Recombination Rate Constant to the Shape of the CH Stretching Potential”,
Chemical Physics Letters
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.
Ronald J. Duchovic and W L. Hase (1984).
Sensitivity of the H + CH3 CH4 Recombination Rate Constant to the Shape of the CH Stretching Potential”,. Chemical Physics Letters.110 (5), 474-477.