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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2013, 4, 87—95.
Molecular Dynamics Simulation of Supramolecular Organization and Phase State of Hexaheptyloxytriphenylene
D. O. Moskvin1, V. V. Sotsky1, A. S. Kashitsyn1,2, N. V. Usol'tseva1
Author affiliations 1Nanomaterials Research Institute, Ivanovo State University,
Ermak str. 39, 153025 Ivanovo, Russia. E-mail: Moskvin1987@mail.ru. 2Ivanovo State University, Shuyski branch,
Kooperativnaja str. 24, 155908 Shuya, Ivanovskaja dist., Russia
Abstract The results on calculation and interpretation of radial distribution functions for 2,3,6,7,10,11-hexaheptyloxytriphenylene obtained by the molecular dynamics simulation are presented. The features of hardware and software resources applied in the calculation experiments are described. Within the framework of the used model the obtained results of the calculation experiments are in a good agreement with the experimental data of polarizing microscopy and X-ray diffraction.