The adsorption of CO on charged and neutral Au and Au2: A comparison between wave-function based and density functional theory

Journal of Chemical Physics

Volumn 128, Issue 12, 2008, Pages

  Schwerdtfeger, Peter ^a   Lein, Matthias ^a   Krawczyk, Robert P ^a   Jacob, Christoph R ^b  

^a MASSEY UNIVERSITY   (New Zealand)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CARBON MONOXIDE; CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; VALENCE BANDS; WAVE FUNCTIONS;

CARBON OXYGEN BONDS; DISSOCIATION ENERGIES; NEGATIVELY CHARGED SYSTEMS;

GOLD COMPOUNDS;

CARBON MONOXIDE; GOLD;

ADSORPTION; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; QUANTUM THEORY; SURFACE PROPERTY;

ADSORPTION; CARBON MONOXIDE; GOLD; MODELS, CHEMICAL; QUANTUM THEORY; SURFACE PROPERTIES;

EID: 41549116368     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2834693     Document Type: Article

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