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The Structure of Water Clusters Interacting with Gaseous Acetylene
The Structure of Water Clusters Interacting with Gaseous Acetylene

ISSN 1990-7931, Russian Journal of Physical Chemistry B, 2008, Vol. 2, No. 1, pp. 115–122. © Pleiades Publishing, Ltd., 2008. Original Russian Text © A.N. Novruzov, O.R. Rakhmanova, O.A. Novruzova, A.E. Galashev, 2008, published in Khimicheskaya Fizika, 2008, Vol. 27, No. 1, pp. 37–45.

A. N. Novruzov, O. R. Rakhmanova, O. A. Novruzova, and A. E. Galashev


Abstract—The interaction of water clusters with acetylene molecules at T = 230 K was studied by the molecular
dynamics method. The structure of clusters was analyzed by constructing Voronoi polyhedra. Water clusters
interacting with C2H2 molecules are characterized by a diversity of H-bond orientations, a more uniform
distribution of H-bonds over the cluster volume, a larger number of bonds per atom, and smaller bond lengths.
The spectrum of bond lengths broadens as the number of acetylene molecules interacting with the water cluster
increases. C2H2 molecules have a pressing action on water clusters.

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Категория: Rus_J_Phys_Chem | Добавил: watercluster (27.03.2009)
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