Chemical shifts in molecular solids by machine learning

Due to their strong dependence on local atonic environments, NMR chemical shifts are among the most powerful tools for strucutre elucidation of powdered solids or amorphous materials. Unfortunately, using them for structure determination depends on the ability to calculate them, which  comes at the...

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Detalles Bibliográficos
Autores principales: Paruzzo, Federico M., Hofstetter, Albert, Musil, Félix, De, Sandip, Ceriotti, Michele, Emsley, Lyndon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6206069/
https://www.ncbi.nlm.nih.gov/pubmed/30374021
http://dx.doi.org/10.1038/s41467-018-06972-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6206069/
https://www.ncbi.nlm.nih.gov/pubmed/30374021
http://dx.doi.org/10.1038/s41467-018-06972-x

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