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The advanced treatment of hydrogen bonding in quantum crystallography

Although hydrogen bonding is one of the most important motifs in chemistry and biology, H-atom parameters are especially problematic to refine against X-ray diffraction data. New developments in quantum crystallography offer a remedy. This article reports how hydrogen bonds are treated in three diff...

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Detalles Bibliográficos
Autores principales: Malaspina, Lorraine A., Genoni, Alessandro, Jayatilaka, Dylan, Turner, Michael J., Sugimoto, Kunihisa, Nishibori, Eiji, Grabowsky, Simon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8202034/
https://www.ncbi.nlm.nih.gov/pubmed/34188611
http://dx.doi.org/10.1107/S1600576721001126