Theory of CO adsorption on MgO(100): The influence of intermolecular interactions on the CO orientation

Surface Science

Volumn 346, Issue 1-3, 1996, Pages 283-293

  Minot, Christian ^a   Van Hove, Michel A ^b   Biberian, Jean Paul ^c  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c AIX MARSEILLE UNIVERSITY   (France)

Author keywords

Ab initio quantum chemical methods and calculations; Carbon monoxide; Low index single crystal surfaces; Magnesium oxides

Indexed keywords

CALCULATIONS; CHEMISORPTION; MAGNESIA; MAGNESIUM; MATHEMATICAL MODELS; MOLECULAR ORIENTATION; QUANTUM THEORY; SINGLE CRYSTALS; SURFACES;

HARTREE-FOCK METHODS; POTENTIAL ENERGY; SURFACE ORDERING;

CARBON MONOXIDE;

EID: 0030083614     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(95)00937-X     Document Type: Article

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