NMR “Finger Prints” of N-Heterocyclic Carbenes, DFT Analysis: Scopes and Limitations
The scopes and limitations of theoretical methods for estimating various NMR metrics of NHCs are considered on a wide range of model NHCs and their derivatives, using a number of computational approximations. On the whole, the most reliable, from the point of view of predictability and insusceptibil...
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| Autors principals: | , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI AG
2023-11-01
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| Col·lecció: | Molecules |
| Matèries: | |
| Accés en línia: | https://www.mdpi.com/1420-3049/28/23/7729 |
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