Quantum mechanical reaction dynamics in collisions of chlorine atom with hydrogen molecule

作     者：Meishan ZHAO The James Franck Institute, the University of Chicago, Chicago, Illinois 60637, U.S.A. 

作者机构：The James Franck Institute the University of Chicago Chicago Illinois 60637 U.S.A. 

出 版 物：《Chinese Journal of Chemistry》 (中国化学（英文版）)

年 卷 期：1994年第12卷第3期

页      面：213-222页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 

主　　题：Triatomic collision reactive scattering Green's function reactance matrix scattering matrix reactive transition probability. 

摘      要：We report the accurate determinations of quantum mechanical state-to-state probabilities tor reactions Cl + H2 - HCl + H and H + HCl - H Cl + H by the generalized Newton variational principle, on the most accurate available potential energy surface. We compare the results for three versions of realistic potential energy surfaces, and to those from hyperspherical close-coupling calculations.