Abstract
In the process of constructing a realistic a priori modeling of the solvation processes of the benzene molecule we have carried out a systematic comparison of the popular atom atom representation of the interaction with the recently proposed atom bond model for the series of benzene-rare gas systems. Calculated static and dynamic properties of this family of systems are discussed. © Springer-Verlag Berlin Heidelberg 2006.
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CITATION STYLE
Albertí, M., Laganà, A., Pirani, F., Porrini, M., & Cappelletti, D. (2006). Atom-bond additive potentials for benzene-rare gas clusters. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 3980 LNCS, pp. 721–730). Springer Verlag. https://doi.org/10.1007/11751540_76
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