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Influence of Hydroxyfullerene on the Structure of Water

The interaction of hydroxyfullerene with water molecules is investigated in the frameworks of ab initio and semiempirical methods of quantum chemistry. The calculations demonstrate that the energy of cluster interaction with a water is twice as much as the energy of interaction between water molecules. Thus qualitative changes in the water structure take place when introducing small quantities of hydroxyfullerene. V C 2010 Wiley Periodicals, Inc. Int J Quantum Chem 111: 2620-2624, 2011