The Structure and Energetics of HF(H2O)
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and HCl(H2O)
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Clusters |
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| Authors: | A E Galashev G I Pozharskaya V N Chukanov |
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| Institution: | (1) Institute of Thermal Physics, Ural Division, Russian Academy of Sciences, ul. Pervomaiskaya 91, Yekaterinburg, 620219, Russia;(2) Institute of Industrial Ecology, Ural Division, Russian Academy of Sciences, ul. Sof'i Kovalevskoi 20-a, Yekaterinburg, 620219, Russia |
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| Abstract: | The Voronoi polyhedrons constructed within the framework of molecular–dynamic model of water clusters are used for the analysis of the hydration of HF and HCl molecules. The metric (lengths, angles, surfaces, and volumes) and polyhedron energy parameters are considered. The quantitative characteristics of hydration are derived on this basis. |
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