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Theoretical Study of the Electronic Excited States of Tetracyanoethylene and Its Radical Anion

✍ Scribed by Begoña Milián; Rosendo Pou-Amérigo; Manuela Merchán; Enrique Ortí

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
135 KB
Volume
6
Category
Article
ISSN
1439-4235

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✍ Vicente Pérez Mondéjar; Inmaculada García Cuesta; Paolo Lazzeretti; José Sánchez 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 276 KB

## Abstract Coupled‐cluster calculations are used to compute the energy of conversion between the neutral and the zwitterionic forms of β‐carboline. The stability of the different species is discussed in terms of charge separation and aromatic character, which is related to magnetic criteria. By me