Replication data of Kästner group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"
收藏DaRUS2022-03-22 更新2026-04-16 收录
下载链接：
https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/darus-2325
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资源简介：
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations including population analysis (Natural population analysis, Hirshfeld population analysis, CM5 population analysis). Additionally, the spreadsheet with the calculations of the partial charges of the fragments is listed.
提供机构：
Institute for Theoretical Chemistry, University of Stuttgart
创建时间：
2022-01-01
