Molecular dynamics (MD) simulation study
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A. Piątek; A. Dawid; Z. Dendzik; Z. Gburski
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Article
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2006
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Elsevier Science
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English
⚖ 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