38 citations · 228 across the 15 of their papers we have counts for
15 papers
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…
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…
A generalized scheme for characterizing orientational correlations in condensed phases of high symmetry molecules: SF and C
László Temleitner
The orientational correlation scheme introduced earlier for tetrahedral molecules is extended for being able to classify orientational correlations between pairs of high symmetry m…
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…
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…
Structural, Rheological and Dynamic Aspects of Hydrogen-Bonding Molecular Liquids: Aqueous Solutions of Hydrotropic tert-Butyl Alcohol
Jure Cerar, Andrej Jamnik, Ildikó Pethes +3
Hypothesis: The structural details, viscosity trends and dynamic phenomena in t-butanol/water solutions are closely related on the molecular scales across the entire composition ra…
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…
Neutron diffraction of hydrogenous materials: measuring incoherent and coherent intensities separately from liquid water - a 40-year-old puzzle solved
László Temleitner, Anne Stunault, Gabriel Cuello +1
(short version) Accurate determination of the coherent static structure factor of disordered materials containing proton nuclei is prohibitively difficult by neutron diffraction, d…
Structure determination of liquid carbon tetrabromide via a combination of x-ray and neutron diffraction data and reverse Monte Carlo modeling
László Temleitner
In order to reveal the atomic level structure of liquid carbon tetrabromide, a new synchrotron x-ray diffraction measurement, over a wide momentum transfer (Q-)range, has been perf…
The structure of PX3 (X=Cl, Br, I) molecular liquids from X-ray diffraction, Molecular Dynamics simulations and Reverse Monte Carlo modeling
Szilvia Pothoczki, László Temleitner, László Pusztai
Synchrotron X-ray diffraction measurements have been conducted on liquid phosphorus trichloride, tribromide and triiodide. Molecular Dynamics simulations for these molecular liquid…
Comparison of the atomic level structure of the plastic crystalline and the liquid phases of CBr2Cl2: neutron diffraction and Reverse Monte Carlo modeling
Szilvia Pothoczki, László Temleitner, Luis Carlos Pardo +3
Neutron diffraction results obtained for plastic crystalline dichlorodibromomethane (CBr2Cl2) have been modelled by means of the Reverse Monte Carlo method. Comparison with its liq…
Local order and orientational correlations in liquid and crystalline phases of carbon tetrabromide from neutron powder diffraction measurements
László Temleitner, László Pusztai
The liquid, plastic crystalline and ordered crystalline phases of CBr were studied using neutron powder diffraction. The measured total scattering differential cross-sections w…