Full-dimensional neural network potential energy surface and dynamics of the CH<sub>2</sub>OO + H<sub>2</sub>O reaction-Reference-Cited by-同舟云学术

Full-dimensional neural network potential energy surface and dynamics of the CH₂OO + H₂O reaction

Published:2023 Issue:20 Volume:13 Page:13397-13404
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Wu Hao¹²^ORCID,Fu Yanlin¹^ORCID,Dong Wenrui¹²^ORCID,Fu Bina¹²³^ORCID,Zhang Dong H.¹²³^ORCID

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, Dalian 116023, China

2. University of Chinese Academy of Sciences, Beijing, 100049, China

3. Hefei National Laboratory, Hefei, 230088, China

Abstract

A first dynamical study based on an accurate full-dimensional neural network PES for the CH2OO + H2O reaction.

Funder

National Natural Science Foundation of China

Liaoning Revitalization Talents Program

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA02069J

Reference51 articles.

1. Mechanism of Ozonolysis

2. Decomposition pathways of the excited Criegee intermediates in the ozonolysis of simple alkenes

3. Criegee Intermediates Beyond Ozonolysis: Synthetic and Mechanistic Insights

4. The reaction of Criegee intermediates with NO, RO2, and SO2, and their fate in the atmosphere

5. NO3 radical production from the reaction between the Criegee intermediate CH2OO and NO2

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