, Volume 92, Issue 10, pp 662-665
Date: 05 Feb 2011

Polarizability exaltation of endofullerenes X@C n (n = 20, 24, 28, 36, 50, and 60; X is a noble gas atom)

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The polarizability exaltation in molecules of endohedral complexes of C20, C24, C28, C36, C50, and C60 fullerenes with He, Ne, Ar, and Kr noble gas atoms has been revealed and studied by the density functional theory method. It has been found that the sign of the Δα polarizability exaltation depends on the number of atoms in a fullerene molecule.