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De Novo Crystal Structure Determination from Machine Learned Chemical Shifts
[Image: see text] Determination of the three-dimensional atomic-level structure of powdered solids is one of the key goals in current chemistry. Solid-state NMR chemical shifts can be used to solve this problem, but they are limited by the high computational cost associated with crystal structure pr...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052749/ https://www.ncbi.nlm.nih.gov/pubmed/35416661 http://dx.doi.org/10.1021/jacs.1c13733 |