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 - <p style="text-align: justify;">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.</p>