Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives |
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| Authors: | Andrienko Denis Marcon Valentina Kremer Kurt |
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| Affiliation: | Max-Planck-Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany. |
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| Abstract: | 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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