20 citations · 61 across the 5 of their papers we have counts for
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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…
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…
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…