CHEMICAL REACTIONS IN THE O(1D) + HCl SYSTEM III.-Reference-Cited by-同舟云学术

CHEMICAL REACTIONS IN THE O(1D) + HCl SYSTEM III.

Published:2002-10 Issue:02 Volume:01 Page:285-293
ISSN:0219-6336
Container-title:Journal of Theoretical and Computational Chemistry
language:en
Short-container-title:J. Theor. Comput. Chem.

Author:

KAMISAKA HIDEYUKI¹,NAKAMURA HIROKI¹²,NANBU SHINKOH³,AOYAGI MUTSUMI³,BIAN WENSHENG²,TANAKA KIYOSHI⁴

Affiliation:

1. Department of Functional Molecular Science, School of Mathematical and Physical Science, The Graduate University for Advanced Studies, Myodaiji, Okazaki 444–8585, Japan

2. Department of Theoretical Studies, Institute for Molecular Science, Myodaiji, Okazaki 444–8585, Japan

3. Research Center for Computational Science, Okazaki National Research Institutes, Myodaiji, Okazaki 444–8585, Japan

4. Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060–0810, Japan

Abstract

Using the accurate global potential energy surfaces for the 11A′′ and 21A′ states reported in the previous sister Paper I, detailed quantum dynamics calculations are performed for these adiabatic surfaces separately for J = 0 (J: total angular momentum quantum number). In addition to the significant overall contributions of these states to the title reactions reported in the second Paper II of this series, quantum dynamics on these excited potential energy surfaces (PES) are clarified in terms of the PES topographies, which are quite different from that of the ground PES. The reaction mechanisms are found to be strongly selective and nicely explained as vibrationally nonadiabatic transitions in the vicinity of potential ridge.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Physical and Theoretical Chemistry,Computer Science Applications

Link

https://www.worldscientific.com/doi/pdf/10.1142/S021963360200021X

Reference16 articles.

1. Quantum mechanical angular distributions for the F+H2 reaction

2. THE MARLOW MEDAL LECTURE The dynamics of the F+H2 reaction

3. How to observe the elusive resonances in F + H2 reactive scattering

4. A theoretical study of the prereaction process of the H···HF van der Waals molecule

5. Theoretical calculations of the prereaction process of the H-···HD van der Waals molecule

Cited by 12 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Influence of collision energy on cross section and stereodynamical properties for the reaction H+OCl→OH+Cl;Chemical Physics;2012-06

2. Effect of ro-vibrational excitation of HCl on the stereodynamics for the reaction of O(3P)+HCl→OH+Cl;Chemical Physics;2012-01

3. Stereo-dynamics study of O + HCl → OH + Cl reaction on the 3A″, 3A′, and 1A′ states;Theoretical Chemistry Accounts;2011-03-17

4. Energy dependent dynamics of the O(1D) + HCl reaction: A quantum, quasiclassical and statistical study;Physical Chemistry Chemical Physics;2011

5. The Dynamics of the O(1D) + HCl → OH + Cl Reaction at a 0.26 eV Collision Energy: A Comparison between Theory and Experiment;The Journal of Physical Chemistry A;2009-05-28