20 citations · 27 across the 3 of their papers we have counts for
15 papers
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…
The influence of cations on the dipole moments of neighboring polar molecules
Imre Bakó, Dániel Csókás, István Mayer +2
It is shown that the dipole moment of polar (water, methanol, formamide, acetone and acetonitrile) molecules in the neighborhood of a cation is increased primarily by polarization…
Properties of hydrogen bonded network in ethanol-water liquid mixtures as a function of temperature: diffraction experiments and computer simulations
Szilvia Pothoczki, Ildikó Pethes, László Pusztai +3
New X-ray and neutron diffraction experiments have been performed on ethanol-water mixtures as a function of decreasing temperature, so that such diffraction data are now available…
Nuclear quantum effects: their relevance in neutron diffraction studies of liquid water
Imre Bakó, Ádám Madarász, László Pusztai
Corrections for nuclear quantum effects (NQE) have been calculated for classical molecular dynamics (MD) simulation models of light (H2O), heavy (D2O) and null (H1.28D0.72O) water.…
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…