Replication data of Kästner group for: "Tungsten Sulfido Alkylidene and Catio...

In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations including population analysis (Natural population...本数据集收录全部仿真数据，涵盖所有几何优化（geometry optimizations）与单点能计算（single-point calculations），其中包含布居分析（population analysis，Natural population……