124 citations · 603 across the 24 of their papers we have counts for
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cond-mat.dis-nn2012★ 6 cited
An independent, general method for checking consistency between diffraction data and partial radial distribution functions derived from them: the example of liquid water
Z. Steinczinger, L. Pusztai
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 o…
cond-mat.dis-nn2012
RMC_POT (Reverse Monte Carlo using POTentials), a computer code for modeling the structure of disordered systems containing molecules of arbitrary complexity, using flexible molecular constraints and non-bonding potentials
Orsolya Gereben, Laszlo Pusztai
An approach has been devised and tested for preserving the molecular geometry and taking into account energetic considerations during Reverse Monte Carlo modeling. Instead of the c…