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Steric and energetic properties of the Cl-–C6H6–Arn heterocluster

  • M. Albertí
  • A. Castro
  • A. LaganàEmail author
  • M. Moix
  • F. Pirani
  • D. Cappelletti
Isolated Molecules and Clusters

Abstract.

The dynamics of heteroclusters containing argon, benzene and chlorine has been investigated using a recently proposed potential energy functional that takes into account both the electrostatic and the non-electrostatic contributions to the overall noncovalent interaction. Related steric and energetic properties are compared with those homologous cationic clusters.

PACS.

31.15.Qg Molecular dynamics and other numerical methods 34.20.Gj Intermolecular and atom-molecule potentials and forces 34.30.+h Intramolecular energy transfer; intramolecular dynamics; dynamics of van der Waals molecules 

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Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2005

Authors and Affiliations

  • M. Albertí
    • 1
  • A. Castro
    • 2
  • A. Laganà
    • 2
    Email author
  • M. Moix
    • 2
  • F. Pirani
    • 2
    • 3
  • D. Cappelletti
    • 4
    • 3
  1. 1.CERQT, Departament de Química Física, Parc CientíficUniversitat de BarcelonaBarcelonaSpain
  2. 2.Dipartimento di ChimicaUniversità di PerugiaPerugiaItaly
  3. 3.INFMPerugiaItaly
  4. 4.Dipartimento di Ingegneria Civile ed AmbientaleUniversità di PerugiaPerugiaItaly

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