Multicomponent QM study on the reaction of HOSO + NO 2 with H 2 O: Nuclear quantum effect on structure and reaction energy profile
Author:
Affiliation:
1. Department of Chemistry and Biomolecular Science, Faculty of EngineeringGifu University Gifu Japan
2. Quantum Chemistry DivisionGraduate School of NanoBioScience, Yokohama City University Yokohama Japan
Funder
JSPS KAKENHI
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.25895
Reference35 articles.
1. Thermochemistry of the HOSO Radical, a Key Intermediate in Fossil Fuel Combustion
2. Atmospheric Reaction of the HOSO Radical with NO2: A Theoretical Study
3. Structure, Stability, and Spectroscopic Properties of H-Bonded Complexes of HOSO and CH3SO with H2O
4. Coupled-Cluster Study of the Lower Energy Region of the Ground Electronic State of the HSO2 Potential Energy Surface
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2. Oxidation of HOSO˙ by O2 (3Σg−): a key reaction deciding the fate of HOSO˙ in the atmosphere;Physical Chemistry Chemical Physics;2022
3. Photochemistry and Non-adiabatic Photodynamics of the HOSO Radical;Journal of the American Chemical Society;2021-07-16
4. H/D Isotope Effects in Keto-Enol Tautomerism of β-Dicarbonyl Compounds —Importance of Nuclear Quantum Effects of Hydrogen Nuclei—;Bulletin of the Chemical Society of Japan;2021-07-15
5. Oxidation of HOSO by NH2: A new path for the formation of an acid rain precursor;Chemical Physics Letters;2021-06
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