Determination of the structure and stability of water clusters using temperature dependent techniques

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TitleDetermination of the structure and stability of water clusters using temperature dependent techniques
Publication TypeJournal Article
Year of Publication1998
AuthorsQuintana, IM, Ortiz, W, López, GE
JournalChemical Physics Letters
Volume287
Issue3-4
Start Page429
Date Published05/1998
Abstract

The lowest energy equilibrium structure of various water clusters, (H2O)n, where n=2–9, was determined using simulated annealing techniques. The interparticle potential was represented by the TIP4P potential and the thermodynamic stability of the systems was computed using a method based on re-scaling the interparticle potential in order to solve the appropriate equations. The structures obtained are similar to the ones reported by other researchers using first principle techniques. All the systems considered are thermodynamically stable in a temperature range where the cluster is in a solid-like form.

DOI10.1016/S0009-2614(98)00167-5

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