Quasi-classical trajectory approach to the stereo-dynamics of the reaction F+HO→HF+O

• 作 者: Juan Zhao Yan Xu Xian Zhao Qin
• 出 处: 中国科学：化学英文版
• 发表日期: 2010年4期
• 关键词: product polarization F + HO REACTION quasi-classical trajectory vector CORRELATI
• 基金项目: supported by the National Natural Science Founda-tion of China (Grant No. 10574083),the Natural Science Foundation of Shandong Province of China (Grant No. Y2006A23),Partial financial support from the

Quasi-classical trajectory (QCT) calculations are employed for the reaction F + HO(0,0)→HF + O based on the adiabatic potential energy surface (PES) of the ground 3A″triplet state. The average rotational alignment factor 【P2(j′·k)】 as a function of c