Temperature-dependent kinetics of the atmospheric reaction between CH<sub>2</sub>OO and acetone-Reference-Cited by-同舟云学术

Temperature-dependent kinetics of the atmospheric reaction between CH₂OO and acetone

Published:2022 Issue:21 Volume:24 Page:13066-13073
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Peng-Biao¹,Truhlar Donald G.²^ORCID,Xia Yu³,Long Bo¹³^ORCID

Affiliation:

1. Department of Physics, Guizhou University, Guiyang, 550025, China

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

3. College of Materials Science and Engineering, Guizhou Minzu University, Guiyang 550025, China

Abstract

We calculated the kinetics of the simplest atmospheric reaction of a Criegee intermediate with a ketone by using our recently developed dual-level variational transition state theory scheme with the beyond-CCSD(T) electronic structure method W3X-L.

Funder

National Natural Science Foundation of China

Guizhou Science and Technology Department

Department of Education of Guizhou Province

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP01118B

Reference99 articles.

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2. Criegee intermediates meet rotational spectroscopy

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4. Unimolecular decay dynamics of Criegee intermediates: Energy-resolved rates, thermal rates, and their atmospheric impact

5. The physical chemistry of Criegee intermediates in the gas phase

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