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Molecular dynamics simulation study of the liquid crystal phase in small mesogene cluster (9CB)20

✍ Scribed by A. Dawid, Z. Gburski


Book ID
120729582
Publisher
De Gruyter Open Sp. z o.o.
Year
2012
Tongue
English
Weight
609 KB
Volume
30
Category
Article
ISSN
2083-1331

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Molecular dynamics (MD) simulation study
✍ A. PiΔ…tek; A. Dawid; Z. Dendzik; Z. Gburski πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 334 KB

We have simulated (MD method) the dynamics of fullerenes (C 60 ) in extremely small cluster composed of only seven C 60 molecules. The interaction is taken to be the full 60-site pairwise additive Lennard-Jones (LJ) potential, which generates both translational and anisotropic rotational motions of