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.
Properties of an atom-bond additive representation of the interaction for benzene-argon clusters
LAGANA', Antonio;PIRANI, Fernando;PORRINI, Massimiliano;CAPPELLETTI, David Michele
2004
Abstract
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.File in questo prodotto:
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