Abstract
Collision of NH radical with H2 molecule and their deuterated analogs were studied on an interpolated potential energy surface using ab initio calculation. For this purpose, reactive and non-reactive processes were considered. Reaction probability and cross-section were determined and used for calculating the rate constant. In non-reactive trajectories, the inelastic collision was investigated in order to calculate the scattering angle. The difference between the initial and final energy of each particle was calculated in order to determine the transmitted and converted energy. For all trajectories, the effect of the impact parameter and relative translational energy of particles on the reaction probability, transmitted energy, and scattering angle were determined. Isotope effect was used to specify the effect of the mass of the target and incoming particle on the quantity and quality of products and also on the reaction probability and other observable properties.
Published Version
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