Hetero-atom stabilization of zwitterionic non-Kekulé molecules: A DFT study on energy gaps between zwitterionic singlet and biradical triplet states
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference41 articles.
1. Magnetic Properties of Organic Materials,1999
2. Diradicals,1982
3. Organic Reactive Intermediates;Wentrup,1984
4. High-spin Organic Molecules and Spin Alignment in Organic Molecular Assemblies
5. A New Class of Non-Kekulé Molecules with Tunable Singlet−Triplet Energy Spacings
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