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Solving the enigma of weak fluorine contacts in the solid state: a periodic DFT study of fluorinated organic crystals

The nature and strength of weak interactions with organic fluorine in the solid state are revealed by periodic density functional theory (periodic DFT) calculations coupled with experimental data on the structure and sublimation thermodynamics of crystalline organofluorine compounds. To minimize oth...

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Detalles Bibliográficos
Autores principales: Levina, Elena O., Chernyshov, Ivan Y., Voronin, Alexander P., Alekseiko, Leonid N., Stash, Adam I., Vener, Mikhail V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063672/
https://www.ncbi.nlm.nih.gov/pubmed/35515880
http://dx.doi.org/10.1039/c9ra02116g