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Steric and Electronic Effects in Gold N‐Heterocyclic Carbene Complexes Revealed by Computational Analysis

A computational analysis of a series of cationic and neutral gold imidazolylidene and benzimidizolylidene complexes is reported. The Bond Dissociation Energies of the various ligands in the complexes calculated at the PBE0‐D3/def2‐TZVP level of theory increase with increasing ligand volume, except f...

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Detalles Bibliográficos
Autores principales:	de Kock, Sunel, Dillen, Jan, Esterhuysen, Catharine
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2019
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6488199/ https://www.ncbi.nlm.nih.gov/pubmed/31061779 http://dx.doi.org/10.1002/open.201900076

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