Vibrational frequencies for NO chemisorbed on different sites: DFT calculations on Pd clusters

Surface Science

Volumn 380, Issue 1, 1997, Pages 83-90

  Jigato, Manuel Pérez ^a   Somasundram, Kausala ^a   Termath, Volker ^a,b   Handy, Nicholas C ^a   King, David A ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b Max Planck Institute for Molecular Genetics and Max Planck Unit for the Science of Pathogens   (Germany)

Author keywords

Density functional calculations; Nitrogen oxides; Palladium; Vibrations of adsorbed molecules

Indexed keywords

ADSORPTION; CHEMICAL BONDS; CHEMISORPTION; COMPUTATIONAL METHODS; MOLECULAR VIBRATIONS; PALLADIUM; PROBABILITY DENSITY FUNCTION; SURFACE STRUCTURE;

PALLADIUM CLUSTERS;

NITROGEN OXIDES;

EID: 0031141145     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(96)01599-3     Document Type: Article

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