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. https://doi.org/10.3762/bjoc.19.4

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Supporting Information File 1: Tables of calculated absolute isotropic chemical shifts, isomer ratios, unscaled chemical shifts, linear regressions, scaled chemical shifts and deviations, and coordinates of DFT optimized structures used for NMR calculations.
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Supporting Information File 2: Tables S1–S17 in editable format.
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