Structure and magnetic resonance parameters of oxygen species on MgO surfaces. Modelling and quantum chemical investigations

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Volumn 115, Issue , 1996, Pages 207-214

  Mikheikin, I D ^a   Abronin, I A ^a   Vorontsova, I K ^a  

^a MIREA RUSSIAN TECHNOLOGICAL UNIVERSITY   (Russian Federation)

Author keywords

chemisorption; cluster; dioxygen; electronic structure; g tensor; oxygen radical anion; quantum chemistry; solid state

Indexed keywords

ADSORPTION; COMPUTER SIMULATION; CRYSTALS; DERIVATIVES; ELECTRIC FIELDS; ELECTRONIC STRUCTURE; MAGNESIA; OXIDES; OXYGEN; PARAMAGNETIC RESONANCE; QUANTUM THEORY;

ADSORPTION CONFIGURATIONS; ELECTRIC FIELD DERIVATIVES; FOCK MATRIX; IONIC CRYSTALLINE SURFACE; MADELUNG TERMS; MAGNESIA SURFACES; OXIDE EXAMINATION; OXYGEN SPECIES; QUANTUM CHEMICAL DESCRIPTION;

SURFACE PROPERTIES;

MAGNESIUM OXIDE;

CONFERENCE PAPER; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; SURFACE PROPERTY;

EID: 0342936253     PISSN: 09277757     EISSN: None     Source Type: Journal    
DOI: 10.1016/0927-7757(96)03657-6     Document Type: Conference Paper

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