• Quasiclassical trajectory study on the integral cross-section and stereodynamics information of the reaction O(1D) + H2(v = 0, j = 0) → OH + H

• # Fulltext

https://www.ias.ac.in/article/fulltext/jcsc/123/03/0291-0298

• # Keywords

Polarization dependent differential cross-section (PDDCS); vector correlation; quasiclassical trajectory method; stereodynamics; integral cross section.

• # Abstract

Integral cross-section and stereodynamics study of the reaction O(1D)+H2($v = 0$, $j = 0$) → OH + H is undertaken using the quasiclassical trajectory (QCT) method for the collision energy is in the large length of 1.3 to 43 kcal/mol using Dobbyn and Knowles (DK) surface, and the obtained results are compared with those available from earlier available calculated results on the BR surface. The integral cross sections obtained from the quasiclassical trajectory method are in good agreement with those of Chebyshev wave packet method for collision energies above 0.2 eV.We also investigated the vector correlations and polarized dependent differential cross sections (PDDCS) at different collision energies. It is demonstrated that the alignment and state distribution significantly decrease with increase in the collision energy.

• # Author Affiliations

1. School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China
2. Department of Chemistry, Hebei Normal University of Science and Technology, Qinhuangdao 066600, China
3. College of Physics, Chongqing University, Chongqing 400044, China

• # Journal of Chemical Sciences

Volume 134, 2022
All articles
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• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019

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