Nuclear magnetic shielding calculations in the finite perturbation method involving GIAO's at the INDO level and London's approximation. II. Carbon-13 and nitrogen-15
- 1 July 1983
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 61 (7) , 1417-1421
- https://doi.org/10.1139/v83-248
Abstract
Magnetic shielding constants, calculated for C-13 and N-15 nuclei in the finite perturbation method using INDO and London's approximations, are analyzed in terms of mono-, di-, and tricentric contributions, thus permitting an assessment of the relative importance of local vs. nonlocal contributions. For both C-13 and N-15, it appears that the changes in total shielding are almost entirely dictated by those of the local paramagnetic contribution, i.e., [Formula: see text].Keywords
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