Theoretical Investigations of Rate Coefficients of H + H2O2 → OH + H2O on a Full-Dimensional Potential Energy Surface-Reference-Cited by-同舟云学术

Theoretical Investigations of Rate Coefficients of H + H2O2 → OH + H2O on a Full-Dimensional Potential Energy Surface

Published:2019-04-16 Issue:18 Volume:123 Page:3969-3976
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lu Xiaoxiao¹²,Wang Xingan²^ORCID,Fu Bina¹^ORCID,Zhang Donghui¹

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, Dalian 116023, China

2. Department of Chemical Physics, University of Science and Technology of China, Jinzhai Road 96, Hefei 230026, China

Funder

National Natural Science Foundation of China

Chinese Academy of Sciences

Ministry of Science and Technology of the People's Republic of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b02526

Reference65 articles.

1. The hydrogen-sensitized decomposition of hydrogen peroxide

2. Rate constants for hydrogen + oxygen system, and for H atoms and OH radicals + alkanes

3. Interpretation of the slow reaction and second limit of hydrogen oxygen mixtures by computer methods

4. Inhibition by Hydrogen Peroxide of the Second Explosion Limit of the Hydrogen-Oxygen Reaction

5. Photochemistry of the gaseous hydrogen peroxide—carbon monoxide system. II: Rate constants for hydroxyl radical reactions with hydrocarbons and for hydrogen atom reactions with hydrogen peroxide

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