Replication Data for: Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis
Coordinate dataset and absolute energy (in a.u.), 3D structure for Density-functional theory (DFT) optimized complexes with selected distances (in Å)
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| Tipo de recurso: | conjunto de datos |
| Fecha de publicación: | 2023 |
| País: | España |
| Institución: | Consorci de Serveis Universitaris de Catalunya (CSUC) |
| Repositorio: | CORA.Repositori de Dades de Recerca |
| OAI Identifier: | oai:dnet:cora.rdr____::03431310646a5f6399dc0a1b7f84c69b |
| Acceso en línea: | https://doi.org/10.34810/DATA648 |
| Access Level: | acceso abierto |
| Palabra clave: | Chemistry Metàtesi (Química) Metathesis (Chemistry) Alquens Alkenes Funcional de densitat, Teoria del Density functionals |
| Sumario: | Coordinate dataset and absolute energy (in a.u.), 3D structure for Density-functional theory (DFT) optimized complexes with selected distances (in Å) |
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