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Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives
2006
Journal of Chemical Physics
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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.
doi:10.1063/1.2354156
pmid:17014203
fatcat:6c3dbzjxp5bqhajs66uqshlsje