Quantum Mechanical Calculation of Energy Dependence of OCl/OH Product Branching Ratio and Product Quantum State Distributions for the O(1D) + HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces-Reference-Cited by-同舟云学术

Quantum Mechanical Calculation of Energy Dependence of OCl/OH Product Branching Ratio and Product Quantum State Distributions for the O(1D) + HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces

Published:2008-08-01 Issue:34 Volume:112 Page:7947-7960
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Yang Huan¹,Han Ke-Li¹,Nanbu Shinkoh¹,Nakamura Hiroki¹,Balint-Kurti Gabriel G.¹,Zhang Hong¹,Smith Sean C.¹,Hankel Marlies¹

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China, Research Institute for Information Technology, Kyushu University, 6-10-1 Hakozaki, Higashi-ku Fukuoka 812-8581, Japan, Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Japan, School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom, and Centre for Computational Molecular Science, Australian Institute for Bioengineering and...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp803673y

Reference44 articles.

1. Chemical dynamics of the reactions of O(1D2) with saturated hydrocarbons

2. Channel specific rate constants for reactions of O(1D) with HCl and HBr

3. The interaction of O(1D2) with HCl: The initial vibrational distributions in the OH(2Π) produced by chemical reaction, and the HCl(1Σ+) produced by E–V energy transfer

4. Product energy distribution of hydroxyl radicals in O(1D2) + HCl → OH + Cl

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