https://doi.org/10.1140/epjst/e2013-01998-4
Regular Article
Protonated water clusters
Hartree-Fock study of dissociation energies
1 Institute of Physics, Pomeranian University in Słupsk, Poland
2 Institute of Physics, University Nicolaus Copernicus, Toruń, Poland
a e-mail: tomek@apsl.edu.pl
Received: 8 June 2013
Revised: 9 August 2013
Published online: 23 October 2013
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.
© EDP Sciences, Springer-Verlag, 2013
