Cumulative Reaction Probabilities of Cl+H_(2) from Quantum Scattering Calculations and Evaluation of Thermal Rate Constant
作者机构:The James Franck InstituteThe University of ChicagoChicagoIllinois 60637USA
出 版 物:《Chinese Physics Letters》 (中国物理快报(英文版))
年 卷 期:1994年第11卷第12期
页 面:730-733页
核心收录:
学科分类:07[理学] 0805[工学-材料科学与工程(可授工学、理学学位)] 0704[理学-天文学] 070202[理学-粒子物理与原子核物理] 0702[理学-物理学]
主 题:momentum constants variational
摘 要:We report the cumulative reaction probabilities(CRP)of the three-dimensional Cl+H_(2)→H+HCl calculated on the Stern-Persky-Klein potential energy surface,using the generalized Newton variational principle,for total angular momentum J=0,over a total reaction energy range from 9 to 19 kcal/*** relation between CRP and reaction rate constants,as well as the calculation for complete reaction rates(summed over all J),bypassing the direct calculation of the CRP s for J0,are also discussed.