Supporting Information
| 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. | ||
| Format: PDF | Size: 52.2 MB | Download |
| Supporting Information File 2: Tables S1–S17 in editable format. | ||
| Format: XLSX | Size: 92.7 KB | Download |
Cite the Following Article
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
How to Cite
Hersh, W. H.; Chan, T.-Y. Beilstein J. Org. Chem. 2023, 19, 36–56. doi:10.3762/bjoc.19.4
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