The European Physical Journal Special Topics

, Volume 222, Issue 9, pp 2217–2221 | Cite as

Protonated water clusters

Hartree-Fock study of dissociation energies
  • T. WróblewskiEmail author
  • G. P. Karwasz
Regular Article


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.


European Physical Journal Special Topic Dissociation Energy Formation Enthalpy Neutral Cluster Total Electronic Energy 
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© EDP Sciences and Springer 2013

Authors and Affiliations

  1. 1.Institute of PhysicsPomeranian UniversitySłupskPoland
  2. 2.Institute of PhysicsUniversity Nicolaus CopernicusToruńPoland

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