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

Replication data of Kästner group for:...HTML

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Metadata Information

Field	Value
DOI
License URL
Source
Version
Author	Gugeler, Katrin, Kästner, Johannes
Maintainer	DaRUS
Language	English
MetadataPublished
Related Molecule

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source





The data in this table is sourced from UniChem at EBI.