Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives
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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| Veröffentlicht in: | The Journal of chemical physics 2006-09, Vol.125 (12), p.124902-124902 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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| Zusammenfassung: | 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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| ISSN: | 0021-9606 1089-7690 |
| DOI: | 10.1063/1.2354156 |