Protonated water clusters
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A complete set of protonated water clusters conformers up to n = 8 have been evaluated by ab-initio Hartree-Fock method in 6-311G** molecular orbitals basis set and with quadratic complete basis set method. Configurations of ground-state conformers are in a good accord with those available in literature but present dissociation energies for the light clusters agree better with experimental values. A tentative analysis of experimental conditions for observation of certain clusters is presented in comparison to selected formation paths of clusters. Dissociation energies show a broad range of values.
KeywordsEuropean Physical Journal Special Topic Dissociation Energy Formation Enthalpy Neutral Cluster Total Electronic Energy
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- 18.K.N. Marsh (ed.), Recommended Reference Materials for the Realization of Physicochemical Properties (Blackwell, Oxford, 1987)Google Scholar