A new analytical potential energy surface for the adsorption system CO/Cu(100)

Journal of Chemical Physics

Volumn 132, Issue 7, 2010, Pages

  Marquardt, Roberto ^a   Cuvelier, Fŕd́ric ^b,g   Olsen, Roar A ^c,d   Baerends, Evert Jan ^e   Tremblay, Jean Christophe ^f   Saalfrank, Peter ^f  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b Université Paris Est Créteil   (France)

^c LEIDEN UNIVERSITY   (Netherlands)

^d Scheikundig Laboratorium ^*  (Norway)

^e VU UNIVERSITY AMSTERDAM   (Netherlands)

^f UNIVERSITY OF POTSDAM   (Germany)

^g UNIVERSITÉ GUSTAVE EIFFEL   (France)

Author keywords

[No Author keywords available]

Indexed keywords

[CO/CU]; ADSORPTION PROCESS; ADSORPTION SYSTEM; ANHARMONIC; CU(1 0 0); DESORPTION ENERGY; DIATOMIC MOLECULES; DISSOCIATIVE CHEMISORPTION; EQUILIBRIUM ADSORPTION; EXPERIMENTAL DATA; HYPERSURFACE; KEY CHARACTERISTICS; LATERAL DIFFUSION; VARIATIONAL CALCULATION; VIBRATIONAL FUNDAMENTALS; ZERO-POINT ENERGIES;

CARBON MONOXIDE; CHEMISORPTION; DESORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; UNCERTAINTY ANALYSIS; VARIATIONAL TECHNIQUES;

ADSORPTION;

EID: 77149179386     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3308481     Document Type: Article

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