TY - JOUR
T1 - Effect of the Isotope Substitution on the Stereodynamics for $O+H(D)Br \rightarrow OH(D)+Br$ Reactions
AU - Li , Hong
AU - Zheng , Bin
AU - Yin , Ji-Qing
AU - Meng , Qing-Tian
JO - Journal of Atomic and Molecular Sciences
VL - 2
SP - 114
EP - 121
PY - 2012
DA - 2012/03
SN - 3
DO - http://doi.org/10.4208/jams.052411.070811a
UR - https://global-sci.org/intro/article_detail/jams/10137.html
KW - isotope substitution, vector correlation, quasi-classical trajectory.
AB - <p style="text-align: justify;">The influence of the isotope substitution on the dynamics of the title reactions is investigated using the quasi-classical trajectory method based on the potential energy surface for the $X^1A&#39;$ ground singlet state of HOBr system. Apparent differences on the stereo-dynamic properties are discovered between the title reactions. These discrepancies are mainly due to the unequal reduced masses of the reactants and different zero-point energies of the transition state, which affect the vector properties of the title reactions.</p>