most citedThe Complemented System Approach: A Novel Method for Calculating the X-ray Scattering from Computer Simulations

7 citations · 7 across the 1 of their papers we have counts for

collaborators

5 papers

cond-mat.soft20215 cited

Solvation of Nonionic Poly(Ethylene Oxide) Surfactant Brij 35 in Organic and Aqueous-Organic Solvents

Jure Cerar, Andrej Jamnik, István Szilágyi +1

Hypothesis: By combining the experimental small- and wide-angle x-ray scattering (SWAXS) method with molecular dynamics simulations and the theoretical 'complemented-system approac…

cond-mat.soft2019

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…

physics.chem-ph2018

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…

physics.chem-ph2018

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…

cond-mat.stat-mech20107 cited

The Complemented System Approach: A Novel Method for Calculating the X-ray Scattering from Computer Simulations

Andrej Lajovic, Matija Tomšič, Andrej Jamnik

In this paper, we review the main problem concerning the calculation of X-ray scattering of simulated model systems, namely their finite size. A novel method based on the Rayleigh-…