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DFT approach towards accurate prediction of (1)H/(13)C NMR chemical shifts for dipterocarpol oxime
A computational NMR approach for accurate predicting the (1)H/(13)C chemical shifts of triterpenoid oximes featuring the screening of 144 DFT methods was demonstrated. Efficiently synthesized dipterocarpol oxime was employed as a model compound. The six highest accurate methods from the screening ge...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10613955/ https://www.ncbi.nlm.nih.gov/pubmed/37908664 http://dx.doi.org/10.1039/d3ra04688e |