Improving the accuracy of 31P NMR chemical shift calculations by use of scaling methods
Calculation of 31P NMR chemical shifts for a series of tri- and tetracoordinate phosphorus compounds using several basis sets and density functional theory (DFT) functionals gave a modest fit to experimental chemical shifts, but an excellent linear fit when plotted against the experimental values. T...
Wedi'i Gadw mewn:
| Prif Awduron: | , |
|---|---|
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
Beilstein-Institut
2023-01-01
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| Cyfres: | Beilstein Journal of Organic Chemistry |
| Pynciau: | |
| Mynediad Ar-lein: | https://doi.org/10.3762/bjoc.19.4 |
| Tagiau: |
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