DFT and TD-DFT calculations of fluorene bridged Triarylamine Dimers and Triar...
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This dataset contains (TD)-DFT calculations (Gaussian 09 output files) for a series of 2,7 fluorene bridged triarylamine dimers in their mono-cationic inter valence charge...
本数据集包含一系列2,7-芴桥联三芳胺二聚体在单阳离子态下的含时密度泛函理论（Time-Dependent Density Functional Theory, TD-DFT）计算结果，对应文件为高斯09（Gaussian 09）输出文件，其内容涉及价间电荷……
