Effects of Different Collision Energies on Stereodynamics of Reaction[[Equation]]

SSRN Electronic Journal(2022)

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摘要
The microscopic mechanism, cross section and rate constant of the reaction under various collision energies were studied by quasi-classical trajectory method. In accordance with the correlation between collision energy, reaction cross section and reaction probability, as well as the correlation between temperature T and rate constant, and in consideration of the effect of collinear OHH + global minimum of potential energy surface on the reaction path from reactant to product, the outcomes are satisfactorily explained. The reaction proceeds through two micro mechanisms: indirect kinetic process together with direct kinetic process. After several successive approaches of attacking hydrogen atom on reactant OH + molecule, the variation of the distance between the three atoms with the propagation time is calculated, which may result in the generation of short-lived collision complexes.
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different collision energies,stereodynamics,reactionequation
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