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Liquid Crystals and their Application
Russian Journal Zhidkie kristally i ikh prakticheskoe ispol'zovanie Жидкие кристаллы и их практическое использование |
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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2011, 3, 71—75. |
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Quantum Chemical Calculation of Dextrane Macromolecules in Water
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O. V. Alekseeva, O. V. Eliseeva
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Author affiliations
Institute of Solution Chemistry, Russian Academy of Sciences
153045 Ivanovo, Akademicheskaya Str., 1.
E-mail: ova@isc-ras.ru
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Abstract
In this work we carried out a systematic ab initio study of the specific interaction between dextrane molecules in water. The valence and torsion angles, as well as the effective charges of Mulliken and length bond of the molecule dextrane were calculated.
Keywords: dextrane, effective Mulliken charges, valence and torsion angles
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