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Figure 3 | Chemistry Central Journal

Figure 3

From: Core charge distribution and self assembly of columnar phases: the case of triphenylenes and azatriphenylenes

Figure 3

RDF from atomistic MD and GB MC simulation. Comparison of the center of mass radial distribution functions calculated from the atomistic MD simulation and the Gay-Berne MC ones both in isotropic and columnar phases. Blue dotted lines for MD data points T = 400 (Iso) and T = 300 (Col) at P = 3 atm; red continuous lines for MC data points T* = 0.4 (Iso) and T* = 0.33 (Col) at P* = 1.0.

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BMC Chemistry

ISSN: 2661-801X

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