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Anisotropic Nuclear Magnetic Shielding In C60

Authors: P. W. FOWLER; P. LAZZERETTI; M. MALAGOLI; ZANASI, Riccardo;

Anisotropic Nuclear Magnetic Shielding In C60

Abstract

Extrapolation from ab initio coupled Hartree-Fock calculations is used to estimate the anisotropic C-13 nuclear shielding tensor for each site in C60. The principal components of the symmetric shielding tensor are 179, 10, and -51 ppm. The derived chemical shifts have the same pattern as those deduced from solid-state NMR measurements, and their mean differs from the experimental shift by less than 4 ppm. The large diamagnetic component is associated with a near-radical local axis and the paramagnetic component with the normal to the local mirror plane.

Country
Italy
Keywords

Nuclear Magnetic Shielding; footballene

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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