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Molecular Dynamics of Water Clusters and Interaction Potentials

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Abstract

The molecular dynamics method was used to analyze the dynamic characteristics of water clusters in the solid and liquid phase. A criterion is proposed for choosing the interaction potential, which is based on the distributions of the potential energy of cluster molecules in different phases. The connection of the obtained distributions with the dynamics and structure of the hydrogen bonds’ net of the cluster is shown.

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Authors and Affiliations

  1. Faculty of Chemistry, Lomonosov Moscow State University, 119991, Moscow, Russia

    E. D. Belega & D. N. Trubnikov

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  1. E. D. Belega
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  2. D. N. Trubnikov
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Correspondence to E. D. Belega or D. N. Trubnikov.

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Belega, E.D., Trubnikov, D.N. Molecular Dynamics of Water Clusters and Interaction Potentials. Dokl. Math. 99, 83–86 (2019). https://doi.org/10.1134/S1064562419010265

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  • DOI: https://doi.org/10.1134/S1064562419010265

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