Semiclassical Molecular Dynamics Simulation of Surface Processes: Application to the Hydrogen Atom Recombination on Graphite (Articolo in rivista)

Type
Label
  • Semiclassical Molecular Dynamics Simulation of Surface Processes: Application to the Hydrogen Atom Recombination on Graphite (Articolo in rivista) (literal)
Anno
  • 2006-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1002/qua.20809 (literal)
Alternative label
  • M.Cacciatore; M.Rutigliano (2006)
    Semiclassical Molecular Dynamics Simulation of Surface Processes: Application to the Hydrogen Atom Recombination on Graphite
    in International journal of quantum chemistry
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • M.Cacciatore; M.Rutigliano (literal)
Pagina inizio
  • 631 (literal)
Pagina fine
  • 635 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 106 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 5 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 3 (literal)
Note
  • Scopu (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CNR-IMIP (literal)
Titolo
  • Semiclassical Molecular Dynamics Simulation of Surface Processes: Application to the Hydrogen Atom Recombination on Graphite (literal)
Abstract
  • The semiclassical collisional method has been applied to get an insight into the most basic behaviors of the H2 formation after atom recombination on a graphite surface at TS ? 100 K. The scattering equations are integrated over an adiabatic potential energy surface used in a previous study. Compared with the previously obtained results at TS ? 10 K, important surface temperature effects on the recombination dynamics have been found. (literal)
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