The structure of H-bonded clusters in sub- and supercritical water |
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| Authors: | M L Antipova D L Gurina V E Petrenko |
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| Institution: | 1.Institute of the Solution Chemistry,Russian Academy of Sciences,Ivanovo,Russia;2.Ivanovo State University of Chemistry and Technology,Ivanovo,Russia |
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| Abstract: | The structure of H-bonded complexes in sub- and supercritical water in regions close to and remote from the saturation curve
was studied. The Car-Parrinello method was used to calculate water dipole moment distributions in 11 thermodynamic states.
The dependence of the mean dipole moment of water molecules on the size of clusters and number of H-bonds was obtained. |
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