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Accurate location of hydrogen atoms in hydrogen bonds of tizoxanide from the combination of experimental and theoretical models

To obtain detailed information about the position of hydrogen atoms in hydrogen bonds, HBs, of crystalline organic molecular compounds is not an easy task. In this work we propose a combination of ssNMR experimental data with theoretical procedures to get such information. Furthermore, the combinati...

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Detalles Bibliográficos
Autores principales: Reviglio, Ana L., Martínez, Fernando A., Montero, Marcos D. A., Garro-Linck, Yamila, Aucar, Gustavo A., Sperandeo, Norma R., Monti, Gustavo A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8695048/
https://www.ncbi.nlm.nih.gov/pubmed/35423249
http://dx.doi.org/10.1039/d0ra10609g