Supplementary Materials: Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis

dc.contributor.author
Poater Teixidor, Albert
dc.date.accessioned
2019-11-28T08:26:22Z
dc.date.available
2019-11-28T08:26:22Z
dc.date.issued
2016
dc.identifier.uri
http://hdl.handle.net/10256/17256
dc.description
Material complementari de l'article publicat: Poater, A. (2016). Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis. Molecules, vol. 21, núm. 2, p. 177. Disponible a https://doi.org/10.3390/molecules21020177
dc.description.abstract
Coordinate data sets and absolute energy (in a.u.), 3D structure for DFT optimized complexes with selected distances (in Å)
Conjunts de dades de coordenades i energia absoluta (a.u.), estructura 3D per a complexos optimitzats DFT amb distàncies seleccionades (en Å)
dc.description.sponsorship
A.P. thanks the Spanish MINECO for a project CTQ2014-59832-JIN, and European Commission for a Career Integration Grant (CIG09-GA-2011-293900)
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
MDPI (Multidisciplinary Digital Publishing Institute)
dc.relation
Poater, A. Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis. Molecules, 21 (2): 177. https://doi.org/10.3390/molecules21020177, http://hdl.handle.net/10256/12970
dc.relation.ispartofseries
Dades de recerca
dc.relation.isreferencedby
https://doi.org/10.3390/molecules21020177
dc.relation.uri
http://hdl.handle.net/10256/12970
dc.rights
Attribution 4.0 International
dc.rights.uri
http://creativecommons.org/licenses/by/4.0/
dc.subject
Metàtesi (Química)
Metathesis (Chemistry)
Alquens
Alkenes
Funcional de densitat, Teoria del
Density functionals
dc.title
Supplementary Materials: Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis
dc.type
Dataset
info:eu-repo/semantics/other
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.relation.projectID
info:eu-repo/grantAgreement/MINECO//CTQ2014-59832-JIN/ES/ESCANEO COMPUTACIONAL DE RELACIONES ESTRUCTURA%2FACTIVIDAD DE CATALIZADORES DE OXIDACION DEL AGUA PARA LA GENERACION DE H2/
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
dc.contributor.funder
Ministerio de Economía y Competitividad (Espanya)
European Commission
dc.relation.FundingProgramme
Dirección General de Investigación Científica y Técnica
FP7
dc.relation.ProjectAcronym
ESCANEO COMPUTACIONAL DE RELACIONES ESTRUCTURA/ACTIVIDAD DE CATALIZADORES DE OXIDACION DEL AGUA PARA LA GENERACION DE H2
COMPUTEDRUG
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