SINDO1 Study of water dissociation at the clean and stepped MgO(100) surface

Journal of Physical Chemistry B

Volumn 101, Issue 49, 1997, Pages 10398-10402

  Tikhomirov, Viacheslav A ^a,b   Geudtner, Gerald ^a   Jug, Karl ^a  

^a LEIBNIZ UNIVERSITY HANNOVER   (Germany)

^b KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COMPUTATIONAL METHODS; DISSOCIATION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; SURFACE PHENOMENA; SURFACE STRUCTURE; WATER;

CLUSTER SIMULATION; SEMIEMPIRICAL MOLECULAR ORBITAL METHOD;

MAGNESIA;

EID: 0031553274     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972038c     Document Type: Article

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