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32244437382
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note
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-3.
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20
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0037165686
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For the case of disorder in the positions of the metal atoms within the fullerene cage, see: (a) Olmstead, M. M.; Bettencourt-Dias, A.; Stevenson, S.; Dorn, H. C.; Balch, A. L. J. Am. Chem. Soc. 2002, 124, 4172-4173.
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0036434260
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32244435637
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note
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All calculations were carried out using the Gaussian 03 program with the hybrid density functional theory at the B3LYP level.
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23
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0038554264
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Akasaka, T., Nagase, S., Eds.; Kluwer: Dordrecht, The Netherlands
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For a dominant role of electrostatic interactions in determining metal positions inside highly negatively charged carbon cages, see: Kobayashi, K.; Nagase, S. In Endofullerenes: A New Family of Carbon Clusters; Akasaka, T., Nagase, S., Eds.; Kluwer: Dordrecht, The Netherlands, 2002; pp 99-119.
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Kobayashi, K.1
Nagase, S.2
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0001077499
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For the highly ionic character of metal cage carbon bonds, for example, see: Kobayashi, K.; Nagase, S. Chem. Phys. Lett. 1999, 302, 312-316.
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