Classical Molecular Dynamics and Quantum Chemistry for TADF Guest host interactions

In this repository, the input files, parameter files and data for our study on the guest-host interactions and their role in solid state solvation effects on the charge transfer states of a Thermally Activated Delayed Fluorescence Emitter can be found.

在本存储库中，可找到我们关于客体-主体相互作用及其在固体溶液对热激活延迟荧光发射体电荷转移状态影响的实验研究中所使用的输入文件、参数文件及数据。