Studying the possibility of predicting the supramolecular organization of disk-like mesogens by molecular dynamics simulation
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.
Keywordsheptyloxy-substituted triphenylene computer simulation molecular dynamics graphics processing units
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