Computational study of the adsorption energetics and vibrational wavenumbers of NH3 adsorbed on the Ni(111) surface

Journal of Physical Chemistry B

Volumn 109, Issue 18, 2005, Pages 8954-8960

  Kurten, Theo ^a   Biczysko, Malłgorzata ^a,c   Rajamäki, Timo ^a,d   Laasonen, Kari ^b   Halonen, Lauri ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

^b Department of Chemistry ^*  (Finland)

^c UNIVERSITY OF COIMBRA   (Portugal)

^d Temet Instruments Ltd   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; CHEMICAL BONDS; ELECTRON ENERGY LOSS SPECTROSCOPY; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NICKEL; POTENTIAL ENERGY; SURFACE REACTIONS;

ANGLE-RESOLVED PHOTOEMISSION SPECTROSCOPY (ARPS); BOND LENGTH; DENSITY FUNCTIONAL THEORY (DFT); INTRAMOLECULAR STRETCHING;

ADSORPTION;

EID: 19444382352     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044326w     Document Type: Article

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