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Hydrocarbon Macrocycle Conformer Ensembles and (13)C‐NMR Spectra
NMR as a routine analytical method provides important three‐dimensional structure information of compounds in solution. Here we apply the recently released CRENSO computational workflow for the automated generation of conformer ensembles to the quantum mechanical calculation of (13)C‐NMR spectra of...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9303527/ https://www.ncbi.nlm.nih.gov/pubmed/35099097 http://dx.doi.org/10.1002/anie.202113905 |