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1 article(s) from Chan, Tsz-Yeung

Improving the accuracy of ³¹P NMR chemical shift calculations by use of scaling methods

William H. Hersh and
Tsz-Yeung Chan

Beilstein J. Org. Chem. 2023, 19, 36–56, doi:10.3762/bjoc.19.4

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Figure 1: Training set of tri- and tetracoordinate phosphorus compounds; chemical shifts are in ppm, referenc...

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Figure 2: (a) Plot of experimental vs calculated chemical shifts of tri- and tetracoordinate phosphorus compo...

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Figure 3: Plot of experimental vs calculated chemical shifts of training set compounds reported by Latypov et...

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Figure 4: “Large” compounds selected for ³¹P NMR calculation by Latypov [37].

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Figure 5: Stereoisomers and unusual phosphorus compounds used for chemical shift calculations.

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Figure 6: Phosphorus-catalyzed oxygen transfer reaction intermediates.

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Figure 7: Phosphirane reactions.

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Figure 8: (a) Plot of experimental vs scaled chemical shifts derived from the tri- and tetracoordinate phosph...

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Published 10 Jan 2023

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Improving the accuracy of 31P NMR chemical shift calculations by use of scaling methods

Improving the accuracy of ³¹P NMR chemical shift calculations by use of scaling methods