Cumulative Reaction Probabilities of Cl+H2 from Quantum Scattering Calculations and Evaluation of Thermal Rate Constant
ZHAO Meishan (Meishan ZHAO)
The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, USA
Cumulative Reaction Probabilities of Cl+H2 from Quantum Scattering Calculations and Evaluation of Thermal Rate Constant
ZHAO Meishan (Meishan ZHAO)
The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, USA
关键词 ：
34.50.Lf ,
31.15.+q
Abstract ： We report the cumulative reaction probabilities (CRP) of the three-dimensional Cl+H2 → 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/mol. The 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 J>0, are also discussed.
Key words ：
34.50.Lf
31.15.+q
出版日期: 1994-12-01
引用本文:
ZHAO Meishan (Meishan ZHAO). Cumulative Reaction Probabilities of Cl+H2 from Quantum Scattering Calculations and Evaluation of Thermal Rate Constant
[J]. 中国物理快报, 1994, 11(12): 730-733.
2 from Quantum Scattering Calculations and Evaluation of Thermal Rate Constant
. Chin. Phys. Lett., 1994, 11(12): 730-733.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y1994/V11/I12/730
[1]
LIU Fu-Chun;JIN Ming-Xing;DING Da-Jun. Hexapole State-Selection and Beam Focus of Linear Triatomic Molecules
[2]
LIU Fu-Chun;JIN Ming-Xing;GAO Xin;DING Da-Jun. Hexapole State-Selection and Beam Focus of Polar Top Molecules
[3]
LIU Lin;YUAN Song-liu;DONG Yuan-da;CUI Kun. Effect of Carbon Content on Mechanoreduction of Copper Oxide
[4]
HAI Wen-hua. Bound States of the Perturbed Schrödinger Systems
[5]
DAI Changjian (C.J.Dai). Angular Distribution of Electrons Following Photoionization of
n sns 1 S0 Rydberg States in the Alkaline-Earth Atoms
[6]
ZHAO Meishan (Meishan ZHAO). Variational Versus Nonvariational Calculations for H2 Br Molecular Scattering
1994, Vol. 11 
