2026-10-07T06:43:18Zhttps://www.radar-service.eu/oai/OAIHandler10.58160/XuoFEaxuQyNMDzIg2026-04-24T07:50:45Z
https://dx.doi.org/10.58160/XuoFEaxuQyNMDzIg
Euringer, Leon
Holzapfel, Marco
TD-DFT calculations of bridged triarylamine dimers
University of Würzburg
2024
Other
Physical Organic Chemistry
dataset
Dataset
info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Lambert, Christoph
Moos, Michael
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.
TD-DFT
mixed-valence
diradical
electron transfer
bridge state energy
transition moments
Lambert, Christoph
Moos, Michael
eng
https://ror.org/018mejw64
application/x-tar