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

被引：46

作者：

Albertí, M

Castro, A

Laganà, A

Pirani, F

Porrini, M

Cappelletti, D

机构：

[1] Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy

[2] Univ Perugia, Dipartimento Ingn Civile & Ambientale, I-06123 Perugia, Italy

[3] INFM, Unita Perugia, Perugia, Italy

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 392卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2004.05.035

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：514 / 520

页数：7

共 33 条

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