TY - JOUR
T1 - Quasiclassical Trajectory Study of Stereodynamics  for Exchange Reactions $H'(D')+H(D)S$
AU - Zhou , Bo
AU - Wei , Qiang
JO - Journal of Atomic and Molecular Sciences
VL - 1
SP - 52
EP - 62
PY - 2015
DA - 2015/06
SN - 6
DO - http://doi.org/10.4208/jams.010114.022015a
UR - https://global-sci.org/intro/article_detail/jams/8180.html
KW - stereodynamics, Isotopic Effects, Quasiclassical Trajectory, Exchange Reaction.
AB - <p style="text-align: justify;">Product Polarizations for the exchange reaction $H&#39;+HS$ and its isotopic variants
on an accurate $1A&#39;$ potential energy surface have been studied at collision energies
of 10 kcal/mol by using the quasi-classical trajectory method (QCT). Product rotational
angular momentum distributions $P(θ_r)$ and $P(\phi_r)$ are calculated in the center-of-mass (CM) frame. Moreover, three generalized polarization-dependent differential
cross sections (PDDCSs) are also computed. The results demonstrated that the isotopic
effect displays sensitive effect on the product vector correlations. The reaction
mechanism was discussed based on the properties of stereodynamics and the reactive
trajectories.</p>