Rate coefficients of the H + H2O2→ H2+ HO2reaction on an accurate fundamental invariant-neural network potential energy surface-Reference-Cited by-同舟云学术

Rate coefficients of the H + H2O2→ H2+ HO2reaction on an accurate fundamental invariant-neural network potential energy surface

Published:2018-11-07 Issue:17 Volume:149 Page:174303
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Lu Xiaoxiao¹²,Meng Qingyong³^ORCID,Wang Xingan¹^ORCID,Fu Bina²^ORCID,Zhang Dong H.²

Affiliation:

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

2. 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

3. Department of Applied Chemistry, Northwestern Polytechnical University, Youyi West Road 127, Xi’an 710072, China

Funder

National Key R&D Program of China

National Natural Science Foundation of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5063613

Reference68 articles.

1. Reactions of Hydrogen Atom with Hydrogen Peroxide

2. Absolute measurements of rate coefficients for the reactions of H and O atoms with H2O2 and H2O

3. The hydrogen-sensitized decomposition of hydrogen peroxide

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

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

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