Computational Screening of Metallofullerenes for Nanoscience

	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:	$139.95

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