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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, 4, 32—40. |
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Peculiaritie of Banana-Shaped Mesogen Phase Structure According to Computer Calculations
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G. F. Gabdulsadykova1,2, M. A. Zharova1, V. V. Sotsky1, N. V. Usol'tseva1
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Author affiliations
1Ivanovo State University, Nanomaterials Research Institute.
153025 Ivanovo, Ermak Str., 39
E-mail: nv_usoltseva@mail.ru
2Ivanovo State Medical Academy.
153000 Ivanovo, Av. F. Engel’s, 8
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Abstract
To determine the supramolecular organization of the banana-shaped compound – bis-{3,4,5-tri[4-(4'-nonyloxybenzoyloxy)]benzoylamino}-1,3-phenylene – numerous experiments were carried out by the method of molecular dynamics with molecular mechanics in the MDsimGrid program. The possible packings of the banana-shaped molecules in different phase conditions were discussed. The obtained data were compared to research results of the phase structure using synchrotron radiation method.
Keywords: banana-shaped mesogen, structure, synchrotron radiation, molecular dynamics with molecular mechanics, MDsimGrid program
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