35 citations · 92 across the 4 of their papers we have counts for
3 papers · 1 filter
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.…
Molecular aggregation in liquid water: Laplace spectra and spectral clustering of H-bonded network
Imre Bakó, Dániel Csókás, Szilvia Pothoczki
Application of the spectral clustering method based on the analyses of the Laplace matrix is an acceptable indicator of the global properties of H-bonded network. The first peak of…
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…