124 citations · 603 across the 24 of their papers we have counts for
5 papers · 1 filter
Unexpected composition dependence of the first sharp diffraction peak in an alcohol-aldehyde liquid mixture: n-pentanol and pentanal
Ildikó Pethes, László Temleitner, Matija Tomšič +2
The total scattering structure factors of pure liquid n-pentanol, pentanal, and 5 of their mixtures, as determined by high energy synchrotron X-ray diffraction experiments, are pre…
X-ray diffraction and computer simulation studies of the structure of liquid aliphatic aldehydes: from propanal to nonanal
Ildikó Pethes, László Temleitner, Matija Tomšič +2
Synchrotron X-ray diffraction experiments and molecular dynamics simulations have been performed on simple aliphatic aldehydes, from propanal to nonanal. The performance of the OPL…
Temperature dependent network stability in simple alcohols and pure water: the evolution of Laplace spectra
I. Bakó, I. Pethes, Sz. Pothoczki +1
A number of computer-generated models of water, methanol and ethanol are considered at room temperature and ambient pressure, and also as a function of temperature (for water and e…
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…
Variations of the Hydrogen Bonding and of the Hydrogen Bonded Network in Ethanol-Water Mixtures on Cooling
Szilvia Pothoczki, László Pusztai, Imre Bakó
Extensive molecular dynamics computer simulations have been conducted for ethanol-water liquid mixtures in the water-rich side of the composition range, with 10, 20 and 30 mol % of…