Exploring fundamental differences between red- and blue-shifted intramolecular hydrogen bonds using FAMSEC, FALDI, IQA and QTAIM
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DOI: 10.1007/s11224-017-0956-5
Abstract: We have discovered, using developed by us recently FALDI and FAMSEC computational techniques, fundamentally distinct mechanisms of intramolecular red- and blue-shifted H-bond formation that occurred in different conformers of the same molecule (amino-acid β-alanine) involving… read more here.
Keywords: bond; iqa; blue shifted; shifted bond ... See more keywords