Abstract
The Significant Structure Theory of Eyring and Jhon, originally developed for bulk liquids, can be applied to molecular clusters in the gas phase. The canonical ensemble treatment of small clusters is reported using ab initio 6-31G vibrational frequencies for the Gibbs Free Energy and compared to the phenomonological equations of the Classical Theory and the Lothe-Pound formulation for water.
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© 1992 Springer Science+Business Media Dordrecht
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Nguyen, T., Cox, K., Shillady, D.D. (1992). Significant Structure Theory of Molecular Clusters. In: Jena, P., Khanna, S.N., Rao, B.K. (eds) Physics and Chemistry of Finite Systems: From Clusters to Crystals. NATO ASI Series, vol 374. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-2645-0_12
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DOI: https://doi.org/10.1007/978-94-017-2645-0_12
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