Hydrogen-bond network in liquid Formamide Methanol mixture as studied by neutron scattering and density functional theory
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.08.131
Abstract: Abstract In this work, a hydrogen-bond network in an equimolar Formamide-Methanol (FA-MeOH) mixture was investigated by means of neutron scattering combined with Density Functional Theory (DFT). Original neutron scattering data were analyzed in order to… read more here.
Keywords: neutron scattering; bond; hydrogen bond; bond network ... See more keywords
Correlated Local Fluctuations in the Hydrogen Bond Network of Liquid Water.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c02362
Abstract: The hypothesis that liquid water can separate into two phases in the supercooled state has been supported by recent experimental and theoretical studies. However, whether such structural inhomogeneity extends to ambient conditions is under intense… read more here.
Keywords: hydrogen bond; bond network; water; liquid water ... See more keywords
Hydrogen-Bond Network Promotes Water Splitting on the TiO2 Surface.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c03690
Abstract: Breaking the strong covalent O-H bond of an isolated H2O molecule is difficult, but it can be largely facilitated when the H2O molecule is connected with others through hydrogen-bonding. How a hydrogen-bond network forms and… read more here.
Keywords: bond network; hydrogen bond; water; bond ... See more keywords
First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.99.205123
Abstract: An accurate ab initio theory of the H-bond structure of liquid water requires a high-level exchange correlation approximation from density functional theory. Based on the liquid structures modeled by ab initio molecular dynamics by using… read more here.
Keywords: infrared spectrum; liquid water; water; study infrared ... See more keywords
Investigated hydrogen-bond network kinetics of acetone-water solutions by spontaneous and stimulated Raman spectroscopy.
Sign Up to like & getrecommendations! Published in 2022 at "Optics express"
DOI: 10.1364/oe.457580
Abstract: The hydrogen bond (HB) network structure and kinetics of the acetone-water mixed solutions were investigated by the spontaneous Raman and stimulated Raman scattering (SRS) spectra. The HB network of water molecules was enhanced when the… read more here.
Keywords: kinetics acetone; spectroscopy; hydrogen bond; water ... See more keywords
Hydrogen bond network dynamics of heavy water resolved by alcohol hydration under an intense laser.
Sign Up to like & getrecommendations! Published in 2022 at "Optics express"
DOI: 10.1364/oe.475749
Abstract: Despite a great deal of effort spanning for decades, it remains yet puzzling concerning how alcohol molecules functionalize the hydrogen bond (H-bond) networks of water. We employed an isotopic substitution method (using alcohol-heavy water system)… read more here.
Keywords: heavy water; water; bond network; alcohol ... See more keywords
The Role of the Hydrogen Bond Network in Maintaining Heme Pocket Stability and Protein Function Specificity of C. diphtheriae Coproheme Decarboxylase
Sign Up to like & getrecommendations! Published in 2023 at "Biomolecules"
DOI: 10.3390/biom13020235
Abstract: Monoderm bacteria accumulate heme b via the coproporphyrin-dependent biosynthesis pathway. In the final step, in the presence of two molecules of H2O2, the propionate groups of coproheme at positions 2 and 4 are decarboxylated to… read more here.
Keywords: pocket stability; coproheme decarboxylase; role; pocket ... See more keywords