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Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study.
Phys Chem Chem Phys. 2017 Jan 4;19(2):1010-1028. doi: 10.1039/c6cp06677a.
Phys Chem Chem Phys. 2017.
PMID: 27942642
Symmetry and dynamics of FHF- anion in vacuum, in CD2Cl2 and in CCl4. Ab initio MD study of fluctuating solvent-solute hydrogen and halogen bonds.
Pylaeva SA, Elgabarty H, Sebastiani D, Tolstoy PM.
Pylaeva SA, et al.
Phys Chem Chem Phys. 2017 Oct 4;19(38):26107-26120. doi: 10.1039/c7cp04493c.
Phys Chem Chem Phys. 2017.
PMID: 28929144
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