Theoretica chimica acta

, Volume 23, Issue 4, pp 393–397 | Cite as

SCF MO LCGO studies on the hydration of ions: The system Li+·2H2O

  • Wolfgang P. Kraemer
  • Geerd H. F. Diercksen


The energy of the dihydrated lithium cation Li+·2H2O is studied in several different points within the SCF MO LCAO framework, using a gaussian basis set to approximate the wavefunction. The computed binding energies (hydration energies) and bond distances are compared to the values found for the monohydrate. The results are discussed in view of ion-solvent interaction, and especially of the effect of ions on adjacent hydrogen bonds, in aqueous solutions.


Hydrogen 2H2O Aqueous Solution Hydration Lithium 
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Copyright information

© Springer-Verlag 1972

Authors and Affiliations

  • Wolfgang P. Kraemer
    • 1
  • Geerd H. F. Diercksen
    • 1
  1. 1.Max-Planck-Institut für Physik und AstrophysikMünchen 23Germany

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