Theoretical study of the closed-shell d10-d10 Au(I)-Cu(I) attraction in complexes in extended unsupported chains
| Author | dc.contributor.author | Rodríguez Castillo, María | |
| Author | dc.contributor.author | Monge, Miguel | |
| Author | dc.contributor.author | López de Luzuriaga, José M. | |
| Author | dc.contributor.author | Olmos, M. Elena | |
| Author | dc.contributor.author | Laguna, Antonio | |
| Author | dc.contributor.author | Mendizábal Emaldía, Fernando | |
| Admission date | dc.date.accessioned | 2018-12-20T14:13:14Z | |
| Available date | dc.date.available | 2018-12-20T14:13:14Z | |
| Publication date | dc.date.issued | 2011 | |
| Cita de ítem | dc.identifier.citation | Computational and Theoretical Chemistry, Volumen 965, Issue 1, 2018, Pages 163-167 | |
| Identifier | dc.identifier.issn | 2210271X | |
| Identifier | dc.identifier.other | 10.1016/j.comptc.2011.01.040 | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/154923 | |
| Abstract | dc.description.abstract | Model compounds are used to study the metallophilic attraction between gold and copper atoms. Ab initio calculations on dimers and tetramers in different distributions of the simplified units are analyzed. An attraction is found for all models and there is a reasonable agreement between the experimental and theoretical geometries. © 2011 Elsevier B.V. | |
| Lenguage | dc.language.iso | en | |
| Publisher | dc.publisher | Elsevier B.V. | |
| Type of license | dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Chile | |
| Link to License | dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/cl/ | |
| Source | dc.source | Computational and Theoretical Chemistry | |
| Keywords | dc.subject | Gold(I) Copper(I) | |
| Keywords | dc.subject | Metallophilic interaction | |
| Título | dc.title | Theoretical study of the closed-shell d10-d10 Au(I)-Cu(I) attraction in complexes in extended unsupported chains | |
| Document type | dc.type | Artículo de revista | |
| Cataloguer | uchile.catalogador | SCOPUS | |
| Indexation | uchile.index | Artículo de publicación SCOPUS | |
| uchile.cosecha | uchile.cosecha | SI |
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Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivs 3.0 Chile