Isotopic Effects on Stereodynamics for Ca＋HCI, Ca＋DCI, and Ca＋TCl Reactions

作     者：王立志 杨传路 梁景娟 肖静 张庆刚 

作者机构：山东师范大学物理与电子科学学院济南250014 鲁东大学物理学院烟台264025 

出 版 物：《Chinese Journal of Chemical Physics》 (化学物理学报（英文）)

年 卷 期：2011年第24卷第6期

页      面：686-690,I0003页

核心收录：

学科分类：07[理学] 

基　　金：This work was supported by the National Natural Science Foundation of China (No. 10974078  No. 11174117 No. 10674114  and No. 10874104) and the Research Fund for the Doctoral Program of Higher Education of China (No.20093704110001) 

主　　题：Isotopic effect Stereodynamics Quasi-classical trajectory Vector correlation 

摘      要：The vector correlations in Ca＋HCl, Ca＋DCl, and Ca＋TCl reactions have been investigated by means of the quasi-classical trajectory calculations on PES constructed by means of multireference configuration interaction. The distributions of P（θr）, P（Фr） and the PDDCSs of （2π/σ）（dσ00/dωt）, （2π/σ）（dσ20/dωt）, （2π/σ）（dσ22＋/dωt）, （2π/σ）（dσ21-/dωt） have been calculated based on the surface. The remarkable isotopic effects in the reactions are observed, and the mechanism which may be ascribed to different mass factors is discussed.