Static and dynamic properties of anionic intermolecular aggregates: the I−–benzene–Ar
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| Authors: | M Albertí A Aguilar J M Lucas F Pirani |
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| Institution: | 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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