DFT Calculations of <sup>31</sup>P NMR Chemical Shifts in Palladium Complexes
In this study, comparative analysis of calculated (GIAO method, DFT level) and experimental <sup>31</sup>P NMR shifts for a wide range of model palladium complexes showed that, on the whole, the theory reproduces the experimental data well. The exceptions are the complexes with the P=O phosphorus, f...
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| Hlavní autoři: | , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
MDPI AG
2022-04-01
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| Edice: | Molecules |
| Témata: | |
| On-line přístup: | https://www.mdpi.com/1420-3049/27/9/2668 |
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