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 | Nanotech 2007 Vol. 1
Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 1
Chapter 6: Nanoscale Modeling |
| | Computational Screening of Metallofullerenes for Nanoscience | | Authors: | Z. Slanina and S. Nagase | | Affilation: | Institute for Molecular Science, JP | | Pages: | 489 - 492 | | Keywords: | metallofullerenes, stability evaluation, Gibbs energy, nanoscience applications | | Abstract: | The objects of fullerene science - fullerenes, metallofullerenes & other fullerene endohedrals, and nanotubes - represent promising candidates for nanoscience and nanotechnology applications. The emerging concepts are illustrated on C74-based endohedrals, especially Ca@C74, Sr@C74, and Ba@C74. A set of six C74 cages is considered. Special interest is paid to the enthalpy-entropy evaluations for estimations of the relative as well as absolute populations. | | ISBN: | 1-4200-6182-8 |
| Pages: | 726 |
| Hardcopy: | $199.99 |
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