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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...
Autores principales: | Reviglio, Ana L., Martínez, Fernando A., Montero, Marcos D. A., Garro-Linck, Yamila, Aucar, Gustavo A., Sperandeo, Norma R., Monti, Gustavo A. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
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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 |
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