Effects of collision energy and rotational quantum number on stereodynamics of the reactions:H(~2S)+NH(v=0,j=0,2,5,10)→N(~4S)+H_2

作     者：王伟 于永江 赵刚 杨传路 

作者机构：School of Physics and Optoelectronic Engineering Ludong University 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2016年第25卷第8期

页      面：132-139页

核心收录：

学科分类：07[理学] 070203[理学-原子与分子物理] 0805[工学-材料科学与工程（可授工学、理学学位）] 0704[理学-天文学] 0702[理学-物理学] 

基　　金：supported by the Natural Science Foundation of Shandong Province,China(Grant No.2016ZRB01066) the University Student’s Science and Technology Innovation Fund of Ludong University,China(Grant No.131007) 

主　　题：quasi-classical trajectory method stereodynamics potential energy surface vector correlation 

摘      要：The stereodynamical properties of H（^2S） ＋ NH（v = 0,j = 0,2,5,10）→N（^4S） ＋ H2 reactions are studied in this paper by using the quasi-classical trajectory（QCT） method with different collision energies on the double many-body expansion（DMBE） potential energy surface（PES）（Poveda L A and Varandas A J C 2005 ***.7 2867）.In a range of collision energy from 2 to 20 kcal/mol,the vibrational rotational quantum numbers of the NH molecules are specifically investigated on v = 0 and j = 0,2,5,10 *** distributions of P（θr）,P（φr）,P（θr,φr）,（2π/σ）（dσ（00）/dωt）differential cross-section（DCSs） and integral cross-sections（ICSs） are *** ICSs,computed for collision energies from 2 kcal/mol to 20 kcal/mol,for the ground state are in good agreement with the cited *** results show that the reagent rotational quantum number and initial collision energy both have a significant effect on the distributions of the k-j＇,the k-k＇-j＇,and the k-k＇ *** addition,the DCS is found to be susceptible to collision energy,but it is not significantly affected by the rotational excitation of reagent.