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The geometric and energy characteristics of endohedrals X@Cn (X = He, Ne, Ar; n = 20, 24, 30, 32, 40, 50, 60) were calculated by the density functional theory. The insertion of the helium atom leads to only a slight change in the geometry of the fullerene cage of the endohedrals. As the size of the trapped atom increases, the average C—C bond length increases in proportion to the radii of these...
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