Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density

Surface Science

Volumn 351, Issue 1-3, 1996, Pages 233-249

  Aray, Y ^a   Bader, R F W ^b  

^a INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

^b MCMASTER UNIVERSITY   (Canada)

Author keywords

Ab initio quantum chemical methods and calculations; Adhesion; Magnesium oxides; Models of surface chemical reactions; Single crystal surfaces

Indexed keywords

ADHESION; ADSORPTION; CARBON MONOXIDE; CARRIER CONCENTRATION; CHEMISORPTION; CRYSTAL ATOMIC STRUCTURE; CRYSTAL ORIENTATION; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; SINGLE CRYSTALS; SURFACES; THERMAL EFFECTS;

LAPLACIAN DISTRIBUTION; SURFACE OXYGEN ATOMS;

MAGNESIA;

EID: 0030149290     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(95)01352-0     Document Type: Article

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