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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...
Autores principales: | Levina, Elena O., Chernyshov, Ivan Y., Voronin, Alexander P., Alekseiko, Leonid N., Stash, Adam I., Vener, Mikhail V. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2019
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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 |
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