MP2 study on water adsorption on cluster models of Cu(111)

Journal of Physical Chemistry B

Volumn 108, Issue 8, 2004, Pages 2614-2619

  Ruuska, Henna ^a   Pakkanen, Tapani A ^a   Rowley, Richard L ^b  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

^b Department of Electrical and Computer Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; COPPER; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MOLECULAR ORIENTATION; OPTIMIZATION; WATER;

BASIS SET SUPERPOSITION ERROR; CLUSTER MODEL APPROACH; COUNTERPOISE CORRECTION; HIGH-LEVEL AB INITIO METHOD; INTERACTION ENERGY; SECOND-ORDER MOLLER-PLESSET METHOD;

MOLECULAR DYNAMICS;

EID: 1542335700     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp031022l     Document Type: Article

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