Russian Physics Journal

, Volume 55, Issue 10, pp 1143–1146 | Cite as

Studying the possibility of predicting the supramolecular organization of disk-like mesogens by molecular dynamics simulation

  • D. O. Moskvin
  • V. V. Sotsky
  • N. V. Usol’tseva

The supramolecular structure of heptyloxy-substituted triphenylene is simulated by the molecular dynamics method using graphics device software. The radial distribution functions are obtained for various temperatures. It is established that the data of computer simulation are in good agreement with results of physical experiments.


heptyloxy-substituted triphenylene computer simulation molecular dynamics graphics processing units 


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Copyright information

© Springer Science+Business Media New York 2013

Authors and Affiliations

  • D. O. Moskvin
    • 1
  • V. V. Sotsky
    • 1
  • N. V. Usol’tseva
    • 1
  1. 1.Nanomaterials Research Institute at Ivanovo State UniversityIvanovoRussia

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