https://doi.org/10.1140/epjd/e2005-00303-6
Steric and energetic properties of the Cl-–C6H6–Arn heterocluster
1
CERQT, Departament de Química Física, Parc Científic, Universitat de Barcelona, C/ Martí i Franquès 1, 08028 Barcelona, Spain
2
Dipartimento di Chimica, Università di Perugia, 0123 Perugia, Italy
3
INFM, Unità di Perugia, 0123 Perugia, Italy
4
Dipartimento di Ingegneria Civile ed Ambientale, Università di Perugia, 0123 Perugia, Italy
Corresponding author: a lag@dyn.unipg.it
Received:
18
July
2005
Revised:
31
August
2005
Published online:
16
November
2005
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
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2006
