Rotational effects in dissociation of H2 on Pd(111): Quantum and classical study

Journal of Chemical Physics

Volumn 119, Issue 23, 2003, Pages 12553-12562

  Busnengo, H F ^a   Pijper, E ^b   Kroes, G J ^b   Salin, A ^c  

^a INSTITUTO DE FÍSICA ROSARIO   (Argentina)

^b LEIDEN UNIVERSITY   (Netherlands)

^c UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; CONTINUUM MECHANICS; ENERGY TRANSFER; HYDROGEN; PALLADIUM; POTENTIAL ENERGY; PROBABILITY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; ROTATION; SURFACES;

CLASSICAL TRAJECTORY CALCULATIONS; DENSITY FUNCTIONAL THEORY; POTENTIAL ENERGY SURFACE; ROTATIONAL EFFECTS; SIX DIMENSIONAL QUANTUM DYNAMICAL CALCULATIONS;

DISSOCIATION;

EID: 0346058172     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1626535     Document Type: Article

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