MXAN: New improvements for potential and structural refinement
Author:
Publisher
IOP Publishing
Subject
General Physics and Astronomy
Link
http://stacks.iop.org/1742-6596/190/i=1/a=012031/pdf
Reference9 articles.
1. Geometrical fitting of experimental XANES spectra by a full multiple-scattering procedure
2. Full Quantitative Multiple-Scattering Analysis of X-ray Absorption Spectra: Application to Potassium Hexacyanoferrat(II) and -(III) Complexes
3. Quantitative Analysis of X-Ray Absorption Near Edge Structure Data by a Full Multiple Scattering Procedure: The Fe-CO Geometry in Photolyzed Carbonmonoxy-Myoglobin Single Crystal
4. X-ray structure analysis of a metalloprotein with enhanced active-site resolution using in situ x-ray absorption near edge structure spectroscopy
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1. Improving sensitivity of XANES structural fit to the bridged metal–metal coordination;Journal of Synchrotron Radiation;2024-03-26
2. Symmetry Breaking in Solution-Phase [Cu(tsc)2(H2O)2]2+: Emergent Asymmetry in Cu–S Distances and in Covalence;The Journal of Physical Chemistry B;2021-09-21
3. MXAN: A new program for ab-initio structural quantitative analysis of XANES experiments;Computer Physics Communications;2021-08
4. V K-Edge XANES Full Multiple Scattering Study of V-Bearing Phosphate Glasses;Synchrotron Radiation Science and Applications;2021
5. Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches;Catalysis Today;2019-10
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