On the Problem of Multiple Minima on the S2 Excited Potential Energy Surface of Benzene: A Restricted Active Space Self Consistent Field Study
Author:
Affiliation:
1. Department of Chemistry, Section of Organic Chemistry and BiochemistryUniversity of Ioannina Ioannina 45110 Greece
2. Molecular Biology and Genetics DepartmentDemocritus University of Thrace Alexandroupolis GR-68100 Greece
Publisher
Wiley
Subject
General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/slct.201904429
Reference32 articles.
1. J. N. Murrell The Theory of the Electronic Spectra of Organic Molecules Methuen London 1963 p. 125–132
2. Electronic energy levels of benzene below 7 eV
3. An approach to the ‘‘channel three’’ phenomenon of benzene
4. Towards an accurate molecular orbital theory for excited states: the benzene molecule
5. Ab initioinvestigation of potential‐energy surfaces involved in the photophysics of benzene and pyrazine
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