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Analyzing Discrepancies in Chemical-Shift Predictions of Solid Pyridinium Fumarates
Highly accurate chemical-shift predictions in molecular solids are behind the success and rapid development of NMR crystallography. However, unusually large errors of predicted hydrogen and carbon chemical shifts are sometimes reported. An understanding of these deviations is crucial for the reliabi...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8270278/ https://www.ncbi.nlm.nih.gov/pubmed/34202841 http://dx.doi.org/10.3390/molecules26133857 |