Properties of an atom-bond additive representation of the interaction for benzene-argon clusters

In this work the properties of a new potential energy surface for the benzene-argon clusters are investigated. The proposed functional form is expressed as a sum of atom-bond interaction pairs and the relevant parameters for Ar-CC and Ar-CH cases are given. The main static and dynamical features of the potential energy surface in argon-benzene clusters are computed and compared with those available from the literature. (C) 2004 Elsevier B.V. All rights reserved.