A density functional theory study of the dissociation of H2 on gold clusters: Importance of fluxionality and ensemble effects

Journal of Chemical Physics

Volumn 125, Issue 16, 2006, Pages

  Barrio, L ^a   Liu, P ^b   Rodriguez J A ^b   Campos Martin J M ^a   Fierro, J L G ^a  

^a INSTITUTO DE CATÁLISIS Y PETROLEOQUÍMICA   (Spain)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AU ATOMS; ENSEMBLE EFFECTS; FLUXIONALITY EFFECTS; GOLD CLUSTERS;

ADSORPTION; DISSOCIATION; HYDROGEN; HYDROGEN BONDS; NANOSTRUCTURED MATERIALS; PROBABILITY DENSITY FUNCTION;

GOLD;

EID: 33750461988     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2363971     Document Type: Article

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