Static and dynamic properties of anionic intermolecular aggregates: the I−–benzene–Ar n case |
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Authors: | M. Albertí A. Aguilar J. M. Lucas F. Pirani |
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Affiliation: | 1. IQTCUB, Departament de Química Física, Universitat de Barcelona, Barcelona, Spain 2. Dipartimento di Chimica, Universita di Perugia, Perugia, Italy
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Abstract: | Molecular dynamics simulations on the I?–benzene–Ar n clusters have been carried out using an atom(ion)-bond model to describe the nonelectrostatic contribution to the total interaction. Results for I?–benzene–Ar and I?–benzene–Ar n (n = 3, 18 and 25) are presented and some predicted properties are compared with those of the alkali cation–benzene clusters solvated by Ar atoms. |
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