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13 papers · 1 filter
Enhanced Hydrogen Bonding to Water Can Explain the Outstanding Solubility of \b{eta}-D-Glucose in Water
Imre Bakó, László Pusztai, Szilvia Pothoczki
Ab initio molecular dynamics (AIMD) simulations have been performed on aqueous solutions of four simple sugars, α-D-glucose, \b{eta}-D-glucose, α-D-mannose and α-D-galactose. Hydro…
Evolution of the hydrogen-bonded network in methanol-water mixtures upon cooling
Ildikó Pethes, László Pusztai, László Temleitner
The hydrogen-bonded structure of methanol-water mixtures is investigated over the entire alcohol concentration range (from 0.1 to 1.0) at several temperatu…
Structural studies of H-containing liquids by polarized neutrons: chemical environment and wavelength dependence of the incoherent background
László Temleitner, László Pusztai, Gabriel J. Cuello +1
Following a demonstration of how neutron diffraction with polarization analysis may be applied for the accurate determination of the coherent static structure factor of disordered…
Temperature-dependent structure of 1-propanol/water mixtures: X-ray diffraction experiments and computer simulations at low and high alcohol contents
Ildikó Pethes, László Pusztai, Koji Ohara +1
Aqueous mixtures of 1-propanol have been investigated by high-energy synchrotron X-ray diffraction upon cooling. X-ray weighted total scattering structure factors of 6 mixtures, fr…
Temperature-dependent structure of methanol-water mixtures on cooling: X-ray and neutron diffraction and molecular dynamics simulations
Ildikó Pethes, László Pusztai, Koji Ohara +3
Methanol-water liquid mixtures have been investigated by high-energy synchrotron X-ray and neutron diffraction at low temperatures. We are thus able to report the first complete se…
Chloride ions as integral parts of hydrogen bonded networks in aqueous salt solutions: the appearance of solvent separated anion pairs
Ildikó Pethes, Imre Bakó, László Pusztai
Hydrogen bonding to chloride ions has been frequently discussed over the past 5 decades. Still, the possible role of such secondary intermolecular bonding interactions in hydrogen…