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Quantum-Chemical Study of Hydrogen-Bonded Complexes : Understanding Solvent Shifts in the IR Spectra of Alcohols
(2015-04)
Initially, we were interested in whether the
hydrogen bonding in HF (l) or in H2O (l) is
stronger. Therefore, we examined a series of binary
complexes involving HF & H2O: (H2O)2, (HF)2, and three isomers of H2O/HF. We ...