Ab Initio and Density-Functional Calculations of the Vibrational Structure of the Singlet and Triplet Excited States of Pyrazine
Author:
Affiliation:
1. School of Chemistry, University of Sydney, Sydney, New South Wales 2006, Australia
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp991404k
Reference51 articles.
1. Electronic states of azabenzenes and azanaphthalenes: A revised and extended critical review
2. Molecular orbital theory of the hydrogen bond.
3. Electronic structure of pyrazine. Valence bond model for lone pair interactions
4. The electronic structure of pyrazine. Configuration interaction calculations using an extended basis
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