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- W2892877816 abstract "Hydrogen bonding represents the most specific molecular interaction in biological recognition processes, and the controlled modulation of hydrogen-bond properties of functional groups present in ligands is of great interest. The introduction of fluorine atoms in the vicinity of functional groups is one of the ways this can be achieved. In this chapter, a number of hydrogen-bond acidity scales are reviewed, with a focus on the hydrogen-bond donating capacity of alcohols. An overview of experimental data showing how the hydrogen-bond donating capacity of alcohols is modulated by fluorination is given, followed by a rationalization of these results. Computational methodology to describe and predict hydrogen bonds is discussed, with a focus on a convenient method for accurate alcohol hydrogen-bond donating capacity prediction." @default.
- W2892877816 created "2018-10-05" @default.
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- W2892877816 date "2019-01-01" @default.
- W2892877816 modified "2023-09-30" @default.
- W2892877816 title "Influence of fluorination on alcohol hydrogen-bond donating properties" @default.
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- W2892877816 doi "https://doi.org/10.1016/b978-0-12-812733-9.00008-8" @default.
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