Generalized van Vleck Perturbation Theory (GVVPT2) Study of the Excited States of Benzene and the Azabenzenes-Reference-Cited by-同舟云学术

Generalized van Vleck Perturbation Theory (GVVPT2) Study of the Excited States of Benzene and the Azabenzenes

Published:2008-02-14 Issue:12 Volume:112 Page:2677-2682
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Devarajan Ajitha¹,Gaenko Alexander V.¹,Khait Yuri G.¹,Hoffmann Mark R.¹

Affiliation:

1. Chemistry Department, University of North Dakota, Grand Forks, North Dakota 58202, St. Petersburg State Institute of Technology (Technical University), 26 Moskovskii Ave, St. Petersburg 190013, Russia,and Russian Scientific Center “Applied Chemistry”, 14 Dobrolyubova Ave, St. Petersburg 197198, Russia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp077702w

Reference40 articles.

1. Explication and revision of generalized Van Vleck perturbation theory for molecular electronic structure

2. Fluorofluoroxydioxirane and Other CF2O3 Isomers

3. Difluorophosphaazirine and other CF2NP isomers

4. Theoretical study of the ground and first excited singlet state potential energy surfaces of disulphur monoxide (S2O)

5. Low-lying electronic states of difluorodioxirane

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