Validation study of the ability of density functionals to predict the planar-to-three-dimensional structural transition in anionic gold clusters

Journal of Chemical Physics

Volumn 131, Issue 6, 2009, Pages

  Mantina, Manjeera ^a   Valero, Rosendo ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

3D TRANSITION; ANIONIC CLUSTERS; ANIONIC GOLD CLUSTERS; ATOMIZATION ENERGIES; BARRIER HEIGHTS; DENSITY FUNCTIONALS; FUNCTIONALS; GOLD CLUSTERS; LOCAL SPIN DENSITY APPROXIMATION; MAIN GROUP; NON-COVALENT INTERACTION; PLANAR STRUCTURE; STRUCTURAL TRANSITIONS; STRUCTURE CHANGE; THREE-DIMENSIONAL (3D); TWO-DIMENSIONAL; VALIDATION STUDY;

GOLD; IONIZATION POTENTIAL; THREE DIMENSIONAL; TRANSITION METALS;

GOLD COMPOUNDS;

EID: 69149104097     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3190492     Document Type: Article

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