The water trimer reaction OH + (H2O)3 → (H2O)2OH + H2O-Reference-Cited by-同舟云学术

The water trimer reaction OH + (H2O)3 → (H2O)2OH + H2O

Published:2020 Issue:17 Volume:22 Page:9767-9774
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gao Aifang¹²³⁴⁵,Li Guoliang⁶⁷⁸⁹¹⁰,Peng Bin⁶⁷⁸⁹¹⁰,Weidman Jared D.⁶⁷⁸⁹,Xie Yaoming⁶⁷⁸⁹,Schaefer Henry F.⁶⁷⁸⁹^ORCID

Affiliation:

1. School of Water Resources and Environment

2. Hebei GEO University

3. Shijiazhuang

4. China

5. Hebei Province Collaborative Innovation Center for Sustainable Utilization of Water Resources and Optimization of Industrial Structure

6. Center for Computational Quantum Chemistry

7. University of Georgia

8. Athens

9. USA

10. MOE Key Laboratory of Theoretical Chemistry of the Environment

Abstract

All important stationary points on the potential energy surface (PES) for the reaction OH + (H₂O)₃ → (H₂O)₂OH + H₂O have been fully optimized using the “gold standard” CCSD(T) method with the large Dunning correlation-consistent cc-pVQZ basis sets.

Funder

Basic Energy Sciences

Hebei GEO University

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/D0CP01418D

Reference44 articles.

1. Getting a Better Estimate of an Atmospheric Radical

2. T. E. Graedel , Chemical Compounds in the Atmosphere , Academic Press , New York , 1978 , pp. 375–376

3. J. H. Seinfeld and S. N.Pandis , Atmospheric Chemistry and Physics: From Air Pollution to Climate Change , John Wiley & Sons , New York , 1st edn, 1998

4. A review of the evidence supporting melatonin's role as an antioxidant

5. Redox reactions of neurotransmitters possibly involved in the progression of Parkinson's Disease

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