Molecular dynamics simulation of polarizable ice adlayers on MgO(100)

Surface Science

Volumn 419, Issue 1, 1998, Pages 48-61

  Soetens, J C ^a   Millot, C ^b   Hoang, P N M ^c   Girardet, C ^c  

^a UNIVERSITÉ DE BORDEAUX   (France)

^b CNRS   (France)

^c UNIVERSITÉ DE FRANCHE COMTÉ   (France)

Author keywords

Magnesium oxides; Molecular dynamics; Physical adsorption; Semi empirical models and model calculations; Solid gas interfaces; Vibrations of adsorbed molecules; Water

Indexed keywords

COMPUTER SIMULATION; CRYSTAL ORIENTATION; ELECTRIC FIELD EFFECTS; HYDROGEN BONDS; ICE; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PHASE INTERFACES; POLARIZATION; SURFACE STRUCTURE; WATER ABSORPTION;

ADLAYERS; ELECTRIC MULTIPOLE MOMENTS;

MAGNESIA;

EID: 0032311830     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(98)00789-4     Document Type: Article

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