Interpolated Potential Energy Surface and Reaction Dynamics for CH + H2O Reaction

A goal of chemical dynamics is to obtain a microscopic picture of how energy flows andatoms move during the course of a chemical reaction [1]. Classical trajectory calculationsgive a complete picture of the reaction events. In this study, classical dynamics simulation ofthe title reaction on an interpolated ab initio potential energy surface (PES) has been carriedout to study the dynamics of the reaction of CH radical with H2O.