Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives.
نویسندگان
چکیده
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.
منابع مشابه
Columnar mesophases of hexabenzocoronene derivatives. II. Charge carrier mobility.
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عنوان ژورنال:
- The Journal of chemical physics
دوره 125 12 شماره
صفحات -
تاریخ انتشار 2006