Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance-Reference-Cited by-同舟云学术

Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance

Published:2020-06-12 Issue:28 Volume:124 Page:5737-5745
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lu Dandan¹²,Behler Jörg²^ORCID,Li Jun¹²^ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering & Chongqing Key Laboratory of Theoretical and Computational Chemistry, Chongqing University, Chongqing 401331, China

2. Institut für Physikalische Chemie, Theoretische Chemie, Universität Göttingen, Tammannstrasse 6, 37077 Göttingen, Germany

Funder

Natural Science Foundation of Chongqing

China Scholarship Council

Alexander von Humboldt-Stiftung

National Natural Science Foundation of China

Chongqing Talents Plan for Young Talents

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c04182

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5. Elementary Reactions in the Methanol Oxidation System. Part I: Establishment of the Mechanism and Modelling of Laminar Burning Velocities

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