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- W2053258007 abstract "Using a full 60-site pairwise additive Lennard-Jones atom-atom potential to describe the interaction between ${mathrm{C}}_{60}$ molecules, we computed the lowest-energy structures of $({mathrm{C}}_{60}{)}_{N}$ clusters up to $N=20$ and compared the results with predictions derived using Girifalco's spherical potential. The atom-atom intermolecular potential provides the more realistic description of the ground-state structures of the fullerene clusters, including the relative orientation of the ${mathrm{C}}_{60}$ molecules, but Girifalco's potential affords a good qualitative description of certain features. In particular, Girifalco's approximation is successful in predicting that $({mathrm{C}}_{60}{)}_{13}$ is a highly stable, icosahedral cluster, and that a transition from icosahedral to decahedral structures occurs at a slightly larger cluster size." @default.
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- W2053258007 date "1997-09-15" @default.
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- W2053258007 title "Prediction of the structures of clusters of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>molecules using an atom-atom interaction potential" @default.
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- W2053258007 doi "https://doi.org/10.1103/physrevb.56.6466" @default.
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