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...

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Detalles Bibliográficos
Autores principales: Balodis, Martins, Cordova, Manuel, Hofstetter, Albert, Day, Graeme M., Emsley, Lyndon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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

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