Determination of H-Atom Positions in Organic Crystal Structures by NEXAFS Combined with Density Functional Theory: a Study of Two-Component Systems Containing Isonicotinamide

[Image: see text] It is important to be able to identify the precise position of H-atoms in hydrogen bonding interactions to fully understand the effects on the structure and properties of organic crystals. Using a combination of near-edge X-ray absorption fine structure (NEXAFS) spectroscopy and de...

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Detalles Bibliográficos
Autores principales: Edwards, Paul T., Saunders, Lucy K., Grinter, David C., Ferrer, Pilar, Held, Georg, Shotton, Elizabeth J., Schroeder, Sven L. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9125558/
https://www.ncbi.nlm.nih.gov/pubmed/35537046
http://dx.doi.org/10.1021/acs.jpca.2c00439

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9125558/
https://www.ncbi.nlm.nih.gov/pubmed/35537046
http://dx.doi.org/10.1021/acs.jpca.2c00439

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