Well converged quantum rate constants for the H2+ OH → H2O + H reaction via transition state wave packet-Reference-Cited by-同舟云学术

Well converged quantum rate constants for the H2+ OH → H2O + H reaction via transition state wave packet

Published:2018-08-14 Issue:6 Volume:149 Page:064303
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Sun Peng¹²,Zhang Zhaojun¹,Chen Jun³^ORCID,Liu Shu¹,Zhang Dong H.¹

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, People’s Republic of China

2. University of Chinese Academy of Sciences, Beijing 100049, People’s Republic of China

3. Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People’s Republic of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5046890

Reference51 articles.

1. Fully converged integral cross sections of diatom-diatom reactions and the accuracy of the centrifugal sudden approximation in the H2+OH reaction

2. A quantum dynamics study of H2+OH→H2O+H employing the Wu–Schatz–Lendvay–Fang–Harding potential function and a four-atom implementation of the real wave packet method

3. Accuracy of the centrifugal sudden approximation in the H+H2O reaction and accurate integral cross sections for the H+H2O→H2+OH abstraction reaction

4. Shape resonance in the H + D2O → D + HOD reaction: a full-dimensional quantum dynamics study

5. Accurate integral cross sections for the H + CO2 → OH + CO reaction

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