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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2011, 3, 71—75.
Quantum Chemical Calculation of Dextrane Macromolecules in Water
O. V. Alekseeva, O. V. Eliseeva
Author affiliations Institute of Solution Chemistry, Russian Academy of Sciences
153045 Ivanovo, Akademicheskaya Str., 1. E-mail: firstname.lastname@example.org
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