Reverse Monte Carlo (RMC) is one of the commonly used approaches for modeling total scattering data. However, to extend the capability of the RMC method for refining the structure of nanomaterials, ...
From total scattering functions, we have reciprocal-space structure factors and real-space pair distribution functions that are related via a Fourier transform. PyStoG is a package that allows for: ...
When a .gpx is first loaded and a phase is selected, if one clicks on the RMC tab, the window opens, but then none of the widgets on the page (particularly the "RMCProfile", "FullRMC", and "PDFFIT2" ...
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Non-Commercial (NC): Only non-commercial uses of the work are permitted. Sodium ...
Matt Tucker received his PhD from the University of Kent in Canterbury, UK. He joined Oak Ridge National Laboratory in 2016 and is currently the Diffraction Section Head in the Neutron Scattering ...
1 Department of Pure and Applied Chemistry, Faculty of Science and Technology, Tokyo University of Science, Chiba, Japan 2 Research Group for Advanced Energy Conversion, Research Institute for Science ...
The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/jacs.0c10739. Details concerning calculations of first-principles for ...
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