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Effect of repulsive interaction on the structural and dynamic features of liquid water. The role of molecular polarizability

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Abstract

The effect of variation of the potential function on the structural and dynamic properties of model water when the surface of pair interactions is invariant is studied by the molecular dynamics method. Variations for the rigid and polarizable models are compared.

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Authors and Affiliations

  1. Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo

    M. G. Kiselev, Yu. P. Pukhovskii, D. V. Ivlev & Yu. M. Kessler

Authors
  1. M. G. Kiselev
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  2. Yu. P. Pukhovskii
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  3. D. V. Ivlev
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  4. Yu. M. Kessler
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Translated fromZhurnal Strukturnoi Khimii, Vol.40, No. 2, pp. 296–303, March–April, 1999.

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Kiselev, M.G., Pukhovskii, Y.P., Ivlev, D.V. et al. Effect of repulsive interaction on the structural and dynamic features of liquid water. The role of molecular polarizability. J Struct Chem 40, 246–252 (1999). https://doi.org/10.1007/BF02903653

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  • DOI: https://doi.org/10.1007/BF02903653

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