Chemical Physics Letters, Vol.711, 184-188, 2018
Simulation of experimental imaging results for four isotopic variants of the OH + CH4 reaction with a simple and relatively accurate theoretical approach
In 2005, Kopin Liu and co-workers used crossed molecular beam and velocity map imaging technics in order to measure pair-correlated product speed distributions for the OH + CH4 reaction and seven isotopic variants. We recently reproduced half of them with good accuracy by means of the classical trajectory method in a quantum spirit, which takes into account the semiclassical quantization of product vibrational motions. The second half are successfully reproduced here by using the same approach. The present results constitute one more proof of the ability of the classical trajectory method to provide satisfying predictions for polyatomic processes provided that a few quantum constraints are included in the calculations.