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The Stability and Structure of (N2)j(H2O)i and (Ar)j(H2O)I Clusters
The Stability and Structure of (N2)j(H2O)i and (Ar)j(H2O)I Clusters

Russian Journal of Physical Chemistry A, 2007, Vol. 81, No. 11, pp. 1825–1828. © Pleiades Publishing, Ltd., 2007. Original Russian Text © O.A. Novruzova, O.R. Rakhmanova, A.E. Galashev, 2007, published in Zhurnal Fizicheskoi Khimii, 2007, Vol. 81, No. 11, pp. 2033–2037.

O. A. Novruzova, O. P. Rakhmanova, and A. E. Galashev

Abstract—The stability and structure of water clusters absorbing nitrogen molecules or argon atoms was analyzed
by molecular dynamics simulation at 233 K. The (dμ/di)V,T derivative of the chemical potential, a value
characterizing the stability of a cluster with respect to its size, depends linearly on the number of molecules i.
According to this criterion, the clusters under study become stable near i = 40. The average length of H-bonds
increases monotonically in the growing cluster of pure water and exhibits oscillatory behavior if the growing cluster contains N2 molecules or Ar atoms. The number of H-bonds per molecule oscillates between one and
six as the cluster size changes. These oscillations are damped in pure water and sustained for clusters containing
impurities, especially argon.

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