TD-DFT calculations of bridged triarylamine dimers
收藏DataCite Commons2024-07-09 更新2024-07-13 收录
下载链接：
https://wuedata.uni-wuerzburg.de/radar/en/dataset/XuoFEaxuQyNMDzIg
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资源简介：
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.
提供机构：
University of Würzburg
创建时间：
2024-07-09
