On the orientation of water molecules in the hydration shell of the ions in a MgCl2 solution

Gy I. Szász, W. Dietz, K. Heinzinger, G. Pálinkas, T. Radnai

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38 Citations (Scopus)

Abstract

The orientation of the water molecules in the hydration shells of Mg2+ and Cl- have been calculated from a molecular dynamics simulation of a 1.1 molal MgCl2 solution with the central force model for water. The results are compared with information obtained from neutron diffraction studies with isotopic substitution.

Original languageEnglish
Pages (from-to)388-392
Number of pages5
JournalChemical Physics Letters
Volume92
Issue number4
DOIs
Publication statusPublished - Oct 29 1982

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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