Replication data of Kästner group for: "Tungsten Sulfido Alkylidene and Catio...
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In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations including population analysis (Natural population...
本数据集收录全部模拟数据，涵盖所有几何优化（Geometry Optimizations）与单点能计算（Single-point Calculations）内容，其中包含布居分析（Population Analysis，Natural population……）
