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Title:
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Theoretical study of the closed-shell d(10)-d(10) Au(I)-Cu(I) attraction in complexes in extended unsupported chains |
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Author:
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Rodríguez Castillo, María; Monge, Miguel; López de Luzuriaga, José M.; Olmos, M. Elena; Laguna, Antonio; Mendizábal, Fernando
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Abstract:
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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. |
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Description:
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Artículo de publicación ISI |
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URI:
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http://www.captura.uchile.cl/handle/2250/13993
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Date:
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2011-04 |
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dc.identifier.citation:
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COMPUTATIONAL AND THEORETICAL CHEMISTRY Volume: 965 Issue: 1 Pages: 163-167 Published: APR 2011 |