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The radial distribution functions of water as derived from radiation total scattering experiments: is there anything we can say for sure?
AK Soper - International Scholarly Research Notices, 2013 - Wiley Online Library
The present paper reviews the investigation of ambient water structure and focusses in
particular on the determination of the radial distribution functions of water from total …
particular on the determination of the radial distribution functions of water from total …
Everything SAXS: small-angle scattering pattern collection and correction
BR Pauw - Journal of Physics: Condensed Matter, 2013 - iopscience.iop.org
For obtaining reliable nanostructural details of large amounts of sample—and if it is
applicable—small-angle scattering (SAS) is a prime technique to use. It promises to obtain …
applicable—small-angle scattering (SAS) is a prime technique to use. It promises to obtain …
Neutron and x-ray diffraction studies of liquids and glasses
The techniques of neutron diffraction and x-ray diffraction, as applied to structural studies of
liquids and glasses, are reviewed. Emphasis is placed on the explanation and discussion of …
liquids and glasses, are reviewed. Emphasis is placed on the explanation and discussion of …
Structural modeling of porous carbons: constrained reverse Monte Carlo method
J Pikunic, C Clinard, N Cohaut, KE Gubbins, JM Guet… - Langmuir, 2003 - ACS Publications
We present a constrained reverse Monte Carlo method for structural modeling of porous
carbons. As in the original reverse Monte Carlo method, the procedure is to stochastically …
carbons. As in the original reverse Monte Carlo method, the procedure is to stochastically …
A detailed structural characterization of quartz on heating through the α–β phase transition
Total neutron scattering measurements, analysed using a modification of the reverse Monte
Carlo modelling method to account for long-range crystallographic order, have been used to …
Carlo modelling method to account for long-range crystallographic order, have been used to …
Neutron total scattering method: simultaneous determination of long-range and short-range order in disordered materials
Neutron total scattering, provides simultaneous information about long-range order through
the Bragg peaks and short-range order through the diffuse scattering. We review recent …
the Bragg peaks and short-range order through the diffuse scattering. We review recent …
Application of the reverse Monte Carlo method to crystalline materials
An implementation of the reverse Monte Carlo (RMC) method for the study of crystalline
materials from polycrystalline neutron total scattering data is presented. The new feature is …
materials from polycrystalline neutron total scattering data is presented. The new feature is …
Atomistic simulations of TeO 2-based glasses: interatomic potentials and molecular dynamics
A Gulenko, O Masson, A Berghout, D Hamani… - Physical Chemistry …, 2014 - pubs.rsc.org
In this work we present for the first time empirical interatomic potentials that are able to
reproduce TeO2-based systems. Using these potentials in classical molecular dynamics …
reproduce TeO2-based systems. Using these potentials in classical molecular dynamics …
Reverse Monte Carlo modelling of neutron powder diffraction data
A Mellergård, RL McGreevy - Foundations of Crystallography, 1999 - journals.iucr.org
A new reverse Monte Carlo (RMC) method for modelling both lattice and magnetic disorder
in powder crystalline materials by direct calculation of the structure factor has been …
in powder crystalline materials by direct calculation of the structure factor has been …
On the elusive links between solution microstructure, dynamics, and solvation thermodynamics: demystifying the path through a bridge over troubled conjectures and …
AA Chialvo - The Journal of Physical Chemistry B, 2023 - ACS Publications
We build a fundamentally based bridge between the solute-induced microstructural
perturbation of the species environment and the dynamic as well as thermodynamic …
perturbation of the species environment and the dynamic as well as thermodynamic …