Dataset

Replication data of Kästner group for: "How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study"

In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the data are named similar to the nomenclature in the publication. All structures are named ".xyz" and the input-files are named ".chm" and the output-files are named "out".

Chemical Info

Data and Resources

Metadata Information

Field Value
DOI https://doi.org/10.18419/DARUS-3668
License URL
Source https://doi.org/10.18419/DARUS-3668
Version
Author Klostermann, Sina, 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.