Density functional cluster model study of bonding and coordination modes of CO2 on Pd(111)

Surface Science

Volumn 431, Issue 1, 1999, Pages 208-219

  Habas, Marie Pierre ^a   Mele, Franca ^a   Sodupe, Mariona ^b   Illas, Francesc ^a  

^a Centre de Recerca en Quimica Teorica   (Spain)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; CATALYSIS; CHEMICAL BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PALLADIUM; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SINGLE CRYSTALS; SURFACES;

COORDINATION MODE; DENSITY FUNCTIONAL CLUSTER MODEL;

CARBON DIOXIDE;

EID: 0032658844     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(99)00506-3     Document Type: Article

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