We report, for the first time, a reasonably good calculation of Xe shielding in a fullerene. We find the Xe129 intermolecular shielding value [σ(129Xe@C60)−σ(Xe atom)]=−181.58 ppm (B3LYP), in very good agreement with the value observed for Xe@C60129 dissolved in liquid benzene.
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Sears et al. (2003) studied this question.
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