A SA-CASSCF and MS-CASPT2 study on the electronic structure of nitrosobenzene and its relation to its dissociation dynamics
Author:
Affiliation:
1. Institut des Sciences Moléculaires d’Orsay (ISMO) - UMR 8214, Université Paris-Saclay, 91405 Orsay Cedex, France
2. Department of Physical Chemistry, Faculty of Science, University of Málaga, Andalucía Tech., E-29071 Málaga, Spain
Funder
Junta de Andalucía/FEDER Founds
Junt de Andalucía/FEDER Founds
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0033181
Reference69 articles.
1. Rich chemistry of nitroso compounds
2. Addition, Reduction, and Oxidation Reactions of Nitrosobenzene
3. Synthesis of nitrosobenzene via photocatalytic oxidation of aniline over MgO/TiO2 under visible light irradiation
4. Pathways and kinetic energy disposal in the photodissociation of nitrobenzene
5. Photodissociation of Nitrosobenzene and Decomposition of Phenyl Radical
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