Improved computational modeling of the kinetics of the acetylperoxy + HO2 reaction-Reference-Cited by-同舟云学术

Improved computational modeling of the kinetics of the acetylperoxy + HO₂ reaction

Published:2022 Issue: Volume:238 Page:589-618
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Kuwata Keith T.¹^ORCID,DeVault Marla P.¹,Claypool Duncan J.¹

Affiliation:

1. Department of Chemistry, Macalester College, Saint Paul, Minnesota 55105-1899, USA

Abstract

New quantum chemical and statistical rate theory calculations predict branching fractions for the acetylperoxy + HO2 reaction in fair to good agreement with recent experiment.

Funder

Arnold and Mabel Beckman Foundation

Division of Chemistry

Office of Advanced Cyberinfrastructure

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/FD/D2FD00030J

Reference64 articles.

1. Laboratory studies of organic peroxy radical chemistry: an overview with emphasis on recent issues of atmospheric significance

2. Trends in OMI NO2 observations over the United States: effects of emission control technology and the economic recession

3. Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction

4. Temperature Dependence Study of the Kinetics and Product Yields of the HO2 + CH3C(O)O2 Reaction by Direct Detection of OH and HO2 Radicals Using 2f-IR Wavelength Modulation Spectroscopy

5. Direct measurements of OH and other product yields from the HO2  + CH3C(O)O2 reaction

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