Electronic Structure of Nitrobenzene: A Benchmark Example of the Accuracy of the Multi-State CASPT2 Theory
Author:
Affiliation:
1. Department of Physical Chemistry, Faculty of Science, University of Málaga, Málaga 29071, Spain
2. Department of Inorganic Chemistry, Faculty of Science, University of Málaga, Málaga 29071, Spain
Funder
Junta de Andaluc??a
Ministerio de Ciencia e Innovaci??n
European Commission
Universidad de M??laga
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c04595
Reference81 articles.
1. Pathways and kinetic energy disposal in the photodissociation of nitrobenzene
2. The kinetic and internal energy of NO from the photodissociation of nitrobenzene
3. Ab initio calculation for isomerization reaction kinetics of nitrobenzene isomers
4. Nonradiative Relaxation Processes and Electronically Excited States of Nitrobenzene Studied by Picosecond Time-Resolved Transient Grating Method
5. The effect of solvent on the position of the first absorption band of nitrobenzene
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