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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., 2008, 3, 23—28. |
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Possibility of Mesomorphism Prognostication for Discotic Benzene Derivatives by Computer Simulation
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T. V. Frolova1, O. B. Akopova2, N. V. Usol'tseva2
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Author affiliations
1Ivanovo Institute of a State Fire-Prevention Service MES of Russia.
Prospect Stroitelej, 33. 153011, Ivanovo, Russia
2Ivanovo State University,
Ermak str. 39, 153025, Ivanovo, Russia
E-mail: usol@ivanovo.ac.ru
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Abstract
The comparative analysis of prognosis possibility for mesomorphic properties of discotic benzene derivatives by computer modeling methods ММ+, АМ1 and РМ3 on the base of the HyperChem program has been carried out.
Keywords: prognostication, nematic mesomorphism, prognosis, computer simulation, discotic benzene derivatives
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