Effect of the Madelung potential value and symmetry on the adsorption properties of adsorbate/oxide systems

Surface Science

Volumn 349, Issue 2, 1996, Pages 207-215

  Fernández García, Marcos ^a,c   Conesa, Jose Carlos ^a   Illas, Francesc ^b  

^a INSTITUTO DE CATÁLISIS Y PETROLEOQUÍMICA   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c Yale University   (United States)

Author keywords

Ab initio quantum chemical methods and calculations; Chemisorption; Copper oxides

Indexed keywords

CALCULATIONS; CARBON MONOXIDE; CHARGE TRANSFER; CHEMICAL BONDS; CHEMISORPTION; COPPER OXIDES; ELECTROSTATICS; GEOMETRY; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; NITROGEN OXIDES; SURFACE STRUCTURE;

AB INITIO QUANTUM CHEMICAL METHODS; ELECTROSTATIC BONDS; HARTREE FOCK SELF CONSISTENT FIELD CLUSTER MODEL; MADELUNG POTENTIAL VALUE; SURFACE IRREGULARITIES;

ADSORPTION;

EID: 0030130231     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(95)01065-3     Document Type: Article

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