1Department of Environmental and Chemical Engineering, Dalian Jiaotong University, Dalian 116028 2College of Environmental Science and Engineering, Tongji University, Shanghai 200092
Abstract：We present a theoretical study of the H+OCl system on an accurate ab initio potential energy surface (PES) investigated by Peterson et al. [J. Chem. Phys. 113 (2000) 6186]. Both the exact time-dependent quantum wave packet (TDWP) and quasi-classical trajectory (QCT) methods are employed. The results of reaction probabilities for total angular momentum J=0 and the integral cross section calculated by the TDWP are in good agreement with the QCT ones. Additionally, the nearly forward-backward symmetric product scattering angular distributions and the weak products' rotational alignment effect obtained by the QCT calculations are attributed to a long-lived intermediate reaction process.
. [J]. 中国物理快报, 2013, 30(11): 113101-113101.
LI Ya-Min, CHE Ru-Xin, LI Ying, DONG Bin. Theoretical Study of the H+ClO Reaction. Chin. Phys. Lett., 2013, 30(11): 113101-113101.
2013, Vol. 30 
