About: Calculated Production Yields in Metallofullerene Series. In: NANOTECH 2011 - Technical Proceedings of the 2011     Goto   Sponge   Distinct   Permalink

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  • The paper reports computations for all lanthanoids L on their encapsulation into the only C74 IPR (isolated pentagon rule) cage (L@C74), for Z@C82 based on encapsulation into the IPR C2v C82 cage, and also for the mixed (metal-sulfur) Z2S@C82 endohedrals. Their structural and energetic characteristics are used for evaluations of the relative production yields, employing the encapsulation Gibbs-energy terms and saturated metal pressures. It is moreover shown that the encapsulation potential-energy changes in such series can be well related to the mere ionization potentials of the free metal atoms.
  • The paper reports computations for all lanthanoids L on their encapsulation into the only C74 IPR (isolated pentagon rule) cage (L@C74), for Z@C82 based on encapsulation into the IPR C2v C82 cage, and also for the mixed (metal-sulfur) Z2S@C82 endohedrals. Their structural and energetic characteristics are used for evaluations of the relative production yields, employing the encapsulation Gibbs-energy terms and saturated metal pressures. It is moreover shown that the encapsulation potential-energy changes in such series can be well related to the mere ionization potentials of the free metal atoms. (en)
Title
  • Calculated Production Yields in Metallofullerene Series. In: NANOTECH 2011 - Technical Proceedings of the 2011
  • Calculated Production Yields in Metallofullerene Series. In: NANOTECH 2011 - Technical Proceedings of the 2011 (en)
skos:prefLabel
  • Calculated Production Yields in Metallofullerene Series. In: NANOTECH 2011 - Technical Proceedings of the 2011
  • Calculated Production Yields in Metallofullerene Series. In: NANOTECH 2011 - Technical Proceedings of the 2011 (en)
skos:notation
  • RIV/00216208:11310/11:10105639!RIV12-GA0-11310___
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http://linked.open...avai/riv/aktivita
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  • P(GAP208/10/0179), Z(MSM0021620857)
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  • 189006
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  • RIV/00216208:11310/11:10105639
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  • metallofullerene stability islands; ionization potentials; molecular electronic structure; molecular modeling; molecular electronics; carbon-based nanotechnology; endohedral fullerenes (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [1B28EF4C3598]
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  • Boston
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  • Cambridge
http://linked.open...i/riv/nazevZdroje
  • Nanotech 2011: Technical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo (Volumes 1-3)
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  • Akasaka, T.
  • Nagase, S.
  • Slanina, Zdeněk
  • Uhlík, Filip
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number of pages
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  • CRC Press
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  • 978-1-4398-7139-3
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  • 11310
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