Перегляд за автором "Pusztai, L."

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An independent, general method for checking consistency between diffraction data and partial radial distribution functions derived from them: the example of liquid water

Steinczinger, Z.; Pusztai, L. (Condensed Matter Physics, 2012)

There are various routes for deriving partial radial distribution functions of disordered systems from experimental diffraction (and/or EXAFS) data. Due to limitations and errors of experimental data, as well as to ...
Comparison of the TIP4P-2005, SWM4-DP and BK3 interaction potentials of liquid water with respect to their consistency with neutron and X-ray diffraction data of pure water

Steinczinger, Z.; Pusztai, L. (Condensed Matter Physics, 2013)

Following a fairly comprehensive study on popular interaction potentials of water (Pusztai et al 2008, J. Chem. Phys., 129, 184103), here two more recent, polarizable potential sets, SWM4-DP (Lamoureux et al., Chem. Phys. ...
On the composition dependence of thermodynamic, dynamic and dielectric properties of water-methanol model mixtures. Molecular dynamics simulation results

Galicia-Andrés, E.; Dominguez, H.; Pusztai, L.; Pizio, O. (Condensed Matter Physics, 2015)

We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-methanol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ...
Proteins in solution: Fractal surfaces in solutions

Tscheliessnig, R.; Pusztai, L. (Condensed Matter Physics, 2016)

The concept of the surface of a protein in solution, as well of the interface between protein and 'bulk solution', is introduced. The experimental technique of small angle X-ray and neutron scattering is introduced and ...

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Перегляд за автором "Pusztai, L."

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