Replication Data for: Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis

DOI

Coordinate dataset and absolute energy (in a.u.), 3D structure for Density-functional theory (DFT) optimized complexes with selected distances (in Å)

Conjunts de dades de coordenades i energia absoluta (a.u.), estructura 3D per a complexos optimitzats de la teoria del funcional de la densitat (DFT, sigles en anglès) amb distàncies seleccionades (en Å)

Identifier
DOI https://doi.org/10.34810/DATA648
Metadata Access https://dataverse.csuc.cat/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.34810/DATA648
Provenance
Creator Poater Teixidor, Albert ORCID logo
Publisher CORA.Repositori de Dades de Recerca
Publication Year 2023
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Representation
Resource Type Other; Dataset
Format application/pdf; text/plain
Size 2067528; 1175
Version 1.1
Discipline Chemistry; Natural Sciences