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The properties of small fullerenol cluster (C60(OH)24)7: Computer simulation

✍ Scribed by A. Piątek; A. Dawid; Z. Gburski

Book ID
108261335
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
839 KB
Volume
79
Category
Article
ISSN
1386-1425

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✍ A. Piątek; A. Dawid; Z. Dendzik; Z. Gburski 📂 Article 📅 2006 🏛 Elsevier Science 🌐 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