The general expression for the magnetic shielding of a nucleus in the presence of a time-independent, spatially uniformmagnetic field, and an electric field with a uniform gradient, is examined. It is shown that the molecular response can bedescribed by shielding polarizability tensors that depend on the choice of the origin for the coordinate system to which they arereferred. However, the magnetic field induced at a nucleus carrying a probe nuclear magnetic dipole is invariant to a change tothe origin of the coordinate system and to the related gauge transformation. Theoretical determinations of the induced magneticfield
Electric field gradient effects on nuclear magnetic shieldings / Lazzeretti, Paolo. - In: JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. - ISSN 0166-1280. - STAMPA. - 633:2-3(2003), pp. 105-111. [10.1016/S0166-1280(03)00264-1]
Electric field gradient effects on nuclear magnetic shieldings
LAZZERETTI, Paolo
2003
Abstract
The general expression for the magnetic shielding of a nucleus in the presence of a time-independent, spatially uniformmagnetic field, and an electric field with a uniform gradient, is examined. It is shown that the molecular response can bedescribed by shielding polarizability tensors that depend on the choice of the origin for the coordinate system to which they arereferred. However, the magnetic field induced at a nucleus carrying a probe nuclear magnetic dipole is invariant to a change tothe origin of the coordinate system and to the related gauge transformation. Theoretical determinations of the induced magneticfield
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