Study of the physisorption of CO on the MgO(100) surface using the approach of Kohn-Sham equations with constrained electron density

Journal of Molecular Structure: THEOCHEM

Volumn 458, Issue 1-2, 1998, Pages 151-160

  Adam Wesolowski, Tomasz ^a   Vulliermet, Nathalie ^a   Weber, Jacques ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

Density functional theory; Kinetic energy functional; Physisorption

Indexed keywords

CARBON MONOXIDE; MAGNESIUM OXIDE;

ADSORPTION; ARTICLE; CHEMICAL STRUCTURE; ELECTRON; ENERGY; SURFACE PROPERTY;

EID: 0032506840     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00358-3     Document Type: Article

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