Dataset

Replication data of Kästner group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"

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.

Chemical Info

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source
Version
Author Gugeler, Katrin, Kästner, Johannes
Maintainer DaRUS
Language English
MetadataCreated 2023-05-08T19:13:42.301698
MetadataModified 2023-05-08T19:13:42.301706
MetadataPublished
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.