DFT study of ligand binding to small gold clusters satyende

Journal of Physical Chemistry Letters

Volumn 1, Issue 6, 2010, Pages 927-931

  Goel, Satyender ^a,b,d   A Velizhanin, Kirill ^a,b   Piryatinski, Andrei ^a,b   Tretiak, Sergei ^a,c   Ivanov, Sergei A ^c  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b CENTER FOR NONLINEAR STUDIES   (United States)

^c CENTER FOR INTEGRATED NANOTECHNOLOGIES   (United States)

^d UNIVERSITY OF CENTRAL FLORIDA   (United States)

Author keywords

General theory; Molecular structure; Quantum chemistry

Indexed keywords

AMBIENT CONDITIONS; BASIS SETS; CLUSTER GEOMETRIES; CONFORMATIONAL FREEDOM; DFT STUDY; DONOR LIGANDS; ENERGY SURFACE; FUNCTIONAL MODEL; FUNCTIONALS; GASPHASE; GENERAL THEORY; GOLD CLUSTERS; LIGAND BINDING; NOBLE METAL CLUSTERS; POLARIZATION FUNCTIONS; SMALL GOLD CLUSTERS;

BINDING ENERGY; CLUSTER COMPUTING; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GOLD; LIGANDS; MOLECULAR STRUCTURE; PRECIOUS METALS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

GOLD COMPOUNDS;

EID: 77950160787     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz1000193     Document Type: Article

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