Replication data of C4 group for: "Oxo-Bridged Zr dimers as well-defined mode...

In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations. The folders are named according to the nomenclature in...本数据集收录全部模拟数据，涵盖所有几何结构优化（geometry optimizations）与单点能计算（single-point calculations）的结果。所有文件夹均依据[...]中的命名规则进行命名。