2026-05-27T20:23:35Zhttps://www.radar-service.eu/oai/OAIHandler10.58160/XuoFEaxuQyNMDzIg2026-04-24T07:50:45Z
10.58160/XuoFEaxuQyNMDzIg
Euringer, Leon
Leon
Euringer
Universität Würzburg
Holzapfel, Marco
Marco
Holzapfel
Universität Würzburg
TD-DFT calculations of bridged triarylamine dimers
University of Würzburg
2024
2024
Physical Organic Chemistry
TD-DFT
mixed-valence
diradical
electron transfer
bridge state energy
transition moments
Open Access
Creative Commons Attribution Non Commercial No Derivatives 4.0 International
Lambert, Christoph
0000-0002-9652-9165
Euringer, Leon
Holzapfel, Marco
Lambert, Christoph
0000-0002-9652-9165
Universität Würzburg
Moos, Michael
0009-0000-3644-9609
Universität Würzburg
This dataset contains (TD-)DFT calculations (Gaussian 09 output files) for a series of 2,7-fluorene bridged triarylamine dimers in their neutral-, monoradicalic- and diradicalic state. The dataset is used in a print publication from the Lambert group with the title “Tuning Electron Transfer Coupling and Exchange Interaction in Bis-triarylamine Radical Cations and Dications by Bridge Electron Density”. For the detailed content list, please refer to the read me file.
en
Deutsche Forschungsgemeinschaft
https://ror.org/018mejw64
439533873
Analyse und Steuerung der Spin-Chemie ladungsgetrennter Zustände in molekularen Dyaden und Triaden
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