Master equation study of hydrogen abstraction from HCHO by OH <i>via</i> a chemically activated intermediate-Reference-Cited by-同舟云学术

Master equation study of hydrogen abstraction from HCHO by OH via a chemically activated intermediate

Published:2022 Issue: Volume:238 Page:431-460
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Zhang Rui Ming¹^ORCID,Chen Wenqi¹^ORCID,Truhlar Donald G.²^ORCID,Xu Xuefei¹^ORCID

Affiliation:

1. Center for Combustion Energy, Department of Energy and Power Engineering, and Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China

2. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA

Abstract

A new extension of the TUMME master-equation program is used to explore the time evolutions of the concentrations of the OH radical and the reaction complex under pseudo-first-order conditions.

Funder

National Natural Science Foundation of China

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/FD/D2FD00024E

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