35 citations · 92 across the 4 of their papers we have counts for
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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.…
Hydrogen bonding and percolation in propan-2-ol -- water liquid mixtures: X-ray diffraction experiments and computer simulations
Szilvia Pothoczki, Ildikó Pethes, László Pusztai +5
Synchrotron X-ray diffraction measurements have been conducted on aqueous mixtures of propan-2-ol (a.k.a. isopropanol, or 2-propanol), for alcohol contents between 10 and 90 molar…
Temperature dependent dynamics in water-ethanol liquid mixtures
Szilvia Pothoczki, László Pusztai, Imre Bakó
Temperature dependent hydrogen bond energetics and dynamical features, such as the diffusion coefficient and reorientational times, have been determined for ethanol-water mixtures…