Oxidation States: intrinsically ambiguous?

DOI

This dataset contains several optimized structures, and single point calculations, of several transition metal complexes which contain different types of covalent metal-ligand bonds (classical dative, electron-sharing and inverted dative).

ORCA, 5.0.4

Identifier
DOI https://doi.org/10.34894/GNIO5G
Metadata Access https://dataverse.nl/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.34894/GNIO5G
Provenance
Creator Klein, J.E.M.N. (ORCID: 0000-0002-1290-597X); Leach, I.F. ORCID logo
Publisher DataverseNL
Contributor Groningen Digital Competence Centre
Publication Year 2024
Rights CC-BY-4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Groningen Digital Competence Centre (University of Groningen)
Representation
Resource Type Quantum chemical simulations; Dataset
Format image/png; text/plain; application/javascript; chemical/x-xyz; application/octet-stream
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Version 1.0
Discipline Chemistry; Natural Sciences