Dynamics and kinetics of the OH + HO2 → H2O + O2 (1Δg) reaction on a global full-dimensional singlet-state potential energy surface
Author:
Affiliation:
1. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry
2. Dalian Institute of Chemical Physics
3. Chinese Academy of Sciences
4. Dalian 116023
5. China
Abstract
The reaction dynamics and kinetics of OH + HO2 → H2O + O2 on the singlet state were revealed by theory, based on an accurate full-dimensional PES.
Funder
National Natural Science Foundation of China
National Basic Research Program of China
Chinese Academy of Sciences
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP04611F
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