Computations on Encapsulations of Lanthanides into C74

	Nanotech 2009 Vol. 3 Nanotechnology 2009: Biofuels, Renewable Energy, Coatings, Fluidics and Compact Modeling Chapter 5: Modeling and Simulation of Micro and Nano Systems
	Computations on Encapsulations of Lanthanides into C74
Authors:	Z. Slanina, F. Uhlik, S. Nagase
Affilation:	Institute for Molecular Science, JP
Pages:	312 - 315
Keywords:	molecular modeling, process modeling, molecular electronic structure, molecular memories
Abstract:	While the empty C74 fullerene has still not been available, various related C74-based metallofullerenes have been known and studied vigorously like Ca@C74, Sm@C74, Sr@C74, Ba@C74, La@C74, Eu@C74, Yb@C74, Sc2@C74 or Er3@C74. This contributions will deal with computations of the C74-endohedrals containing lanthanides. Among them, La@C74 has a special position as its X-ray crystallographic analysis is available. The computations will be thus ilustrated here on La@C74 (although other lanthanides have also been treated within our study like Sm@C74 and Eu@C74).
ISBN:	978-1-4398-1784-1
Pages:	694
Hardcopy:	$179.95

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