Abstract
Molecular dynamics with design is used to calculate the electric potentials of isolated water clusters containing Na+ or Cl−. The number of water molecules in the clusters is from 4 to 14. It is noted that electrostatic interaction plays a dominant role in the clusters; the dependence of the dielectric constant of the cluster on the size of the latter is determined.
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Additional information
Institute of Thermal Physics, Ural Branch, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 1, pp. 66–73, January–February, 1998.
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Galashev, A.E., Servida, A. & Sigon, F. Molecular dynamic study of electric potentials in water clusters containing the sodium or chlorine atom. J Struct Chem 39, 53–59 (1998). https://doi.org/10.1007/BF02873825
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DOI: https://doi.org/10.1007/BF02873825