2026-05-27T11:09:04Zhttps://www.radar-service.eu/oai/OAIHandler10.58160/e22uqh6w83pgx7hp2026-04-24T07:48:08Z
10.58160/e22uqh6w83pgx7hp
Euringer, Leon
Leon
Euringer
University of Würzburg
Electron Transfer and Exchange Interaction in Mixed Valence Radical Anions, Radical Cations, and Neutral Diradicals Derived from Bridged Bis-Triarylmethyl Systems_DFT
University of Würzburg
2025
2025
Physical Organic Chemistry
quantum chemical calculations
DFT
TD-DFT
Open Access
Creative Commons Attribution Non Commercial No Derivatives 4.0 International
Lambert, Christoph
Euringer, Leon
Holzapfel, Marco
Moos, Michael
0009-0000-3644-9609
University of Würzburg
Holzapfel, Marco
University of Würzburg
Lambert, Christoph
0000-0002-9652-9165
University of Würzburg
This dataset contains DFT and TD-DFT output files on neutral diradicals, cationic mixed valence compound and anionic mixed valence compounds discussed in the publication "Electron Transfer and Exchange Interaction in Mixed Valence Radical Anions, Radical Cations, and Neutral Diradicals Derived from Bridged Bis-Triarylmethyl Systems".
en
Deutsche Forschungsgemeinschaft
https://ror.org/018mejw64
439533873
Analyse und Steuerung der Spin-Chemie ladungsgetrennter Zustände in molekularen Dyaden und Triaden
Deutsche Forschungsgemeinschaft
https://ror.org/018mejw64
417643975
Spin-Kohärenz-Transfer in lichtinduzierten Multi-Spin Systemen
Deutsche Forschungsgemeinschaft
https://ror.org/018mejw64
536668010
Quantenmechanische Werkzeuge für die Vorhersage der Eigenschaften von molekularen Multi-Spin-Systemen im angeregten Zustand
application/x-tar