Progeny Project DFT and DFTB data of MW9 and MW10 surfactant molecules

DFT and DFTB (see dftb.org) data for the MW9 and MW10 PDI based surfactant molecules of the Progeny project. See README.txt in each subdirectory for more details.本数据集包含Progeny项目中基于苝二酰亚胺（Perylene Diimide, PDI）的MW9与MW10型表面活性剂分子的密度泛函理论（Density Functional Theory, DFT）及密度泛函紧束缚（Density Functional Tight Binding, DFTB，详见dftb.org）数据。各子目录下的README.txt文件可查阅更多详细信息。