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 p...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-04-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/27/9/2668 |