Performance of a Non-Local van der Waals Density Functional on the Dissociation of H2 on Metal Surfaces

Journal of Physical Chemistry A

Volumn 119, Issue 50, 2015, Pages 12146-12158

  Wijzenbroek, Mark ^a   Klein, David M ^a   Smits, Bauke ^a   Somers, Mark F ^a   Kroes, Geert Jan ^a  

^a LEIDEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; MOLECULAR BEAMS; MOLECULAR PHYSICS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; QUANTUM THEORY; RATE CONSTANTS; VAN DER WAALS FORCES;

CLASSICAL DYNAMICS; DENSITY FUNCTIONALS; DYNAMICS CALCULATIONS; EXCHANGE-CORRELATION FUNCTIONALS; FUNCTIONAL YIELD; METAL SURFACE SYSTEM; REACTION PROBABILITY; ROTATIONAL QUANTUM NUMBERS;

POTENTIAL ENERGY;

EID: 84950335832     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b06008     Document Type: Article

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