Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles

Journal of Chemical Physics

Volumn 142, Issue 7, 2015, Pages

  Martin Gondre, L ^a,b   Juaristi, J I ^b,c,d   Blanco Rey, M ^b,c   Diez Muino R ^b,d   Alducin, M ^b,d  

^a UNIVERSITÉ DE FRANCHE COMTÉ   (France)

^b DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^c UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^d CENTRO MIXTO CSIC UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY BARRIERS; MOLECULAR BEAMS; MOLECULAR DYNAMICS; MOLECULES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

AB INITIO MOLECULAR DYNAMICS; DISSOCIATION DYNAMICS; DISSOCIATION PROBABILITY; DISSOCIATIVE ADSORPTION; EXCHANGE-CORRELATION FUNCTIONALS; INITIAL STICKING COEFFICIENT; VAN DER WAALS INTERACTION; VAN DER WAALS INTERACTIONS;

TUNGSTEN;

EID: 84923335942     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4908060     Document Type: Article

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