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SingleCrystal
SingleCrystal 5.0.0   
SingleCrystal is an elegant program designed to make the world of diffraction, reciprocal lattices and stereographic projections intuitive, interactive and fun! SingleCrystal can simulate X-ray, neutron and electron diffraction patterns ...
Demo | $449.00
tags: Chemistry Diffraction, Chemistry Analysis, Molecule Simulation, Diffraction, Electron, Neutron

ExafsArchitect screenshot
ExafsArchitect 1.1.2   
... systematically varying the coordinates of ligands relevant to Chemistry and biology, to easily calculate and evaluate structural effects in EXAFS/XAS and XES spectra using FEFF and/or ORCA. ...
Open Source
tags: EXAFS analysis, molecular model, EXAFS spectra, EXAFS, analysis, model
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