Theoretical interpretation of the IR spectrum of propyne on Cu(111)

Journal of Physical Chemistry B

Volumn 108, Issue 47, 2004, Pages 18297-18305

  Valcarcel A ^a   Ricart, J M ^a   Illas, F ^b   Clotet, A ^a  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; ADSORPTION; COMPUTER SIMULATION; DEFORMATION; ELECTRONIC STRUCTURE; HYDROCARBONS; INFRARED RADIATION; INFRARED SPECTROSCOPY; LOW ENERGY ELECTRON DIFFRACTION; MOLECULAR DYNAMICS; SUPERCOMPUTERS; VIBRATION CONTROL;

DENSITY FUNCTIONAL THEORY (DFT); POLYATOMS; REFLECTION ABSORPTION INFRARED SPECTROSCOPY (RAIRS); SYMMETRIC DEFORMATION;

COPPER COMPOUNDS;

EID: 10044228579     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047103e     Document Type: Article

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