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Product Angular and Rovibrational State Distributions of the Li + HF(v=0, j=0) → LiF(v', j') + H Reaction

Product Angular and Rovibrational State Distributions of the Li + HF(v=0, j=0) → LiF(v', j') + H Reaction
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Year:    2016

Author:    Xian-Fang Yue, Ming-Chun Jiao

Journal of Atomic and Molecular Sciences, Vol. 7 (2016), Iss. 2 : pp. 51–63

Abstract

A state-to-state dynamics analysis of the title reaction has been investigated via the quasiclassical trajecory method. Results of the product state resolved differential cross sections, polarization parameters, as well as rovibrational state distributions were revealed and discussed, most of which agree well with the recent quantum mechanics study by Roncero and co-workers. It was found that more than 82.28% of reactive trajectories undergo the direct reaction mechanism. The title reaction occurs predominantly in the head-end collision.

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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/jams.021416.042116a

Journal of Atomic and Molecular Sciences, Vol. 7 (2016), Iss. 2 : pp. 51–63

Published online:    2016-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    13

Keywords:    reaction mechanism quasiclassical trajectory differential cross section polarization product state distribution.

Author Details

Xian-Fang Yue

Ming-Chun Jiao

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