Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems

Journal of Chemical Physics

Volumn 144, Issue 8, 2016, Pages

  Migliorini, Davide ^a   Nattino, Francesco ^a   Kroes, Geert Jan ^a  

^a LEIDEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CATALYSIS; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; REACTION KINETICS; SURFACE REACTIONS; VAN DER WAALS FORCES;

AB INITIO MOLECULAR DYNAMICS; DISSOCIATIVE ADSORPTION; DISSOCIATIVE CHEMISORPTION; DYNAMICAL CALCULATIONS; EXPERIMENTAL EVIDENCE; QUANTITATIVE ACCURACY; SURFACE APPROXIMATION; VAN DER WAALS INTERACTION;

TUNGSTEN;

EID: 85011427942     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4942198     Document Type: Article

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