Reaction Cross Sections and Rate Constants for the Cl + H2 Reaction from Quasiclassical Trajectory Calculation on Two New ab Initio Potential Energy Surfaces-Reference-Cited by-同舟云学术

Reaction Cross Sections and Rate Constants for the Cl + H2 Reaction from Quasiclassical Trajectory Calculation on Two New ab Initio Potential Energy Surfaces

Published:2001-12-08 Issue:1 Volume:106 Page:176-180
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Shen Changsheng¹,Wu Tao¹,Ju Guanzhi¹,Bian Wensheng¹

Affiliation:

1. State Key Laboratory of Coordination Chemistry, Mesoscopical Solid State Chemistry Institute, Department of Chemistry, Nanjing University, Nanjing 210093, P. R. China, State Key Laboratory of Crystal Material, Shandong University, Jinan 250100, P. R. China, and Institute of Theoretical Chemistry, Shandong University, Jinan 250100, P.R. China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp012421o

Reference40 articles.

1. A paradox: The thermal rate coefficient for the H+DCl → HCl+D exchange reaction

2. A survey of reactions involving H',H'', and chlorine atoms

3. Kinetics of the Cl–H2 system. II. Abstraction vs exchange in D+HCl

4. Variational transition state theory with least‐action tunneling calculations for the kinetic isotope effects in the Cl+H2 reaction: Tests of extended‐LEPS, information‐theoretic, and diatomics‐in‐molecules potential energy surfaces

5. Global potential‐energy surfaces for H2Cl

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