Reliable Quantum Chemical Prediction of the Localized/Delocalized Character of Organic Mixed-Valence Radical Anions. From Continuum Solvent Models to Direct-COSMO-RS
Author:
Affiliation:
1. Technische Universität Berlin, Institut für Chemie, Theoretische Chemie, Sekr. C7, Strasse des 17. Juni 135, 10623 Berlin, Germany
2. COSMOlogic GmbH & Co. KG, Burscheider Strasse 515, D-51381 Leverkusen, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct300545x
Reference95 articles.
1. Mixed-Valence Compounds
2. The Localized-to-Delocalized Transition in Mixed-Valence Chemistry
3. Metal complexes in molecular electronics: progress and possibilities
4. Organic Mixed Valence
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