Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous 19F-NMR spectra of fluorohistidine isomers and analogues

Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP05502D, Paper

Chandana Kasireddy, James G. Bann, Katie R. Mitchell-Koch
Understanding localization/delocalization of fluorine electron density is shown to be critical for predicting and interpreting fluorine chemical shift.
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