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
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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].
2001 ◽
Vol 572
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pp. 185-191
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1995 ◽
Vol 56
(S29)
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pp. 437-442
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1989 ◽
Vol 24
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pp. 511-515
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2007 ◽
Vol 126
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pp. 081101
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1979 ◽
Vol 33
(3)
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pp. 497-503
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2007 ◽
Vol 126
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pp. 034510
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2009 ◽
Vol 47
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pp. 959-970
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2007 ◽
Vol 126
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pp. 214101
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1978 ◽
Vol 33
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pp. 666-671
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