Sharif University of Technology Scientia Iranica 1026-3098 29 6 2022 12 01 A theoretical kinetic and classical dynamic investigation of CN+OH and CN+OD reactions on an interpolated potential energy surface 3151 3165 22774 10.24200/sci.2022.59394.6226 EN A. Saba Department of Chemistry, Yasouj University, 7493475918 Yasouj, Iran Sh. Ramazani Department of Chemistry, Yasouj University, 7493475918 Yasouj, Iran 0000-0003-1773-8303 Journal Article 2021 11 25 In the current work, kinetic and dynamic parameters in reactive and non-reactive collisions between CN and OH radicals were investigated upon an interpolated potential energy surface using MP2/6-311G++(d,p) ab-initio method. The total and individual reaction probability and cross-section, for all reactions, were obtained and applied to calculate the rate constant and rate expression. In non-reactive trajectories, the effect of the impact parameter and relative translational energy of particles on the deflection angle was also investigated. To investigate the kinetic isotopic effect, the deuterium was used instead of hydrogen atom to illustrate the effect of mass of attacking radical and target molecule on physical observable such as reaction probability and cross-section https://scientiairanica.sharif.edu/article_22774_b42a80c01d9b3bb5bb385d4fba81a0c5.pdf