Benchmark study of the structural and spectroscopic parameters of the hydroxymethyl peroxy (HOCH2OO) radical and its decomposition reaction to HO2 and H2CO-Reference-Cited by-同舟云学术

Benchmark study of the structural and spectroscopic parameters of the hydroxymethyl peroxy (HOCH2OO) radical and its decomposition reaction to HO2 and H2CO

Published:2017-04-14 Issue:14 Volume:146 Page:144303
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Linguerri Roberto¹,Puzzarini Cristina²^ORCID,Al Mogren Muneerah Mogren³,Francisco Joseph S.⁴^ORCID,Hochlaf Majdi¹

Affiliation:

1. Laboratorie Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, Université Paris-Est, 5 Blvd. Descartes, 77454 Marne-la-Vallée, France

2. Dipartimento di Chimica “Giacomo Ciamician,” Universitá di Bologna, Via F. Selmi 2, 40126 Bologna, Italy

3. Chemistry Department, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Kingdom of Saudi Arabia

4. Department of Chemistry and Department of Earth and Atmospheric Science, Purdue University, West Lafayette, Indiana 47907-1393, USA

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4979573

Reference68 articles.

1. Comprehensive Mechanism for Methanol Oxidation

2. A Comprehensive Modeling Study of n-Heptane Oxidation

3. A comprehensive modeling study of iso-octane oxidation

4. Uncovering the Fundamental Chemistry of Alkyl + O2 Reactions via Measurements of Product Formation

5. Gas-phase tropospheric chemistry of organic compounds: A review

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Insights into the Molecular Structure and Spectroscopic Properties of HONCO: An Accurate Ab Initio Study;The Journal of Physical Chemistry A;2023-11-03

2. Theoretical study of the radical–radical reactions between HOCH2OO and OH;Theoretical Chemistry Accounts;2022-07-27

3. Theoretical Characterization of the Structure and Spectroscopy of HCNO2 Isomers and Applications;The Journal of Physical Chemistry A;2020-12-21

4. H migration in peroxy radicals under atmospheric conditions;Atmospheric Chemistry and Physics;2020-06-26

5. A twist on the reaction of the CN radical with methylamine in the interstellar medium: new hints from a state-of-the-art quantum-chemical study;Monthly Notices of the Royal Astronomical Society;2020-06-16