A direct dynamics study of the exotic photochemistry of the simplest Criegee intermediate, CH<sub>2</sub>OO-Reference-Cited by-同舟云学术

A direct dynamics study of the exotic photochemistry of the simplest Criegee intermediate, CH₂OO

Published:2022 Issue:27 Volume:24 Page:16724-16731
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Antwi Ernest¹,Bush Rachel E.¹,Marchetti Barbara¹^ORCID,Karsili Tolga N. V.¹^ORCID

Affiliation:

1. University of Louisiana at Lafayette, Lafayette, LA 70503, USA

Abstract

A seven-state multidimensional CASPT2 trajectory surface hopping study of the simplest Criegee intermediate reveals asymptotic coupling between dissociating fragments.

Funder

National Science Foundation

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/D2CP01860H

Reference45 articles.

1. Adventures in ozoneland: down the rabbit-hole

2. The gas-phase ozonolysis of unsaturated volatile organic compounds in the troposphere

3. Night-time radical chemistry during the TORCH campaign

4. Free radical modelling studies during the UK TORCH Campaign in Summer 2003

5. Total radical yields from tropospheric ethene ozonolysis

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