Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives
Andrienko, Denis · Marcon, Valentina · Kremer, Kurt
Original · EN
Using atomistic molecular dynamics simulations we study solid and liquid crystalline columnar discotic phases formed by alkyl-substituted hexabenzocoronene mesogens. Correlations between the molecular structure, packing, and dynamical properties of these materials are established.
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