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The mixture of DMSO-water was studied with Car-Parrinello simulation techniques. A threefold coordination at the DMSO oxygen, methyl group hydrogen-oxygen atom contacts, Russel-structures and 1-DMSO-3-H 2 O clusters are observed. The H(DMSO)-O(H 2 O) and the H(DMSO)-H(H 2 O) radial distribution functions are almost identical. For different far water the angular distribution...
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