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Volume 7, Issue 2
Product Angular and Rovibrational State Distributions of the Li + HF(v=0, j=0) → LiF(v', j') + H Reaction

Xian-Fang Yue & Ming-Chun Jiao

DOI: 10.4208/jams.021416.042116a

J. At. Mol. Sci., 7 (2016), pp. 51-63.

Published online: 2016-07

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  • 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.

  • Keywords

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

  • AMS Subject Headings

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address

xfyuejnu@163.com (Xian-Fang Yue)

jmch527@163.com (Ming-Chun Jiao)

  • BibTex
  • RIS
  • TXT
@Article{JAMS-7-51, author = {Yue , Xian-Fang and Jiao , Ming-Chun}, title = {Product Angular and Rovibrational State Distributions of the Li + HF(v=0, j=0) → LiF(v', j') + H Reaction}, journal = {Journal of Atomic and Molecular Sciences}, year = {2016}, volume = {7}, number = {2}, pages = {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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.021416.042116a}, url = {http://global-sci.org/intro/article_detail/jams/8134.html} }
TY - JOUR T1 - Product Angular and Rovibrational State Distributions of the Li + HF(v=0, j=0) → LiF(v', j') + H Reaction AU - Yue , Xian-Fang AU - Jiao , Ming-Chun JO - Journal of Atomic and Molecular Sciences VL - 2 SP - 51 EP - 63 PY - 2016 DA - 2016/07 SN - 7 DO - http://doi.org/10.4208/jams.021416.042116a UR - https://global-sci.org/intro/article_detail/jams/8134.html KW - reaction mechanism, quasiclassical trajectory, differential cross section, polarization, product state distribution. AB -

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.

Yue , Xian-Fang and Jiao , Ming-Chun. (2016). Product Angular and Rovibrational State Distributions of the Li + HF(v=0, j=0) → LiF(v', j') + H Reaction. Journal of Atomic and Molecular Sciences. 7 (2). 51-63. doi:10.4208/jams.021416.042116a
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