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Simulation of Surface Resonant X-ray Diffraction.
Joly Y, Abisset A, Bailly A, De Santis M, Fettar F, Grenier S, Mannix D, Ramos AY, Saint-Lager MC, Soldo-Olivier Y, Tonnerre JM, Guda SA, Gründer Y. Joly Y, et al. Among authors: guda sa. J Chem Theory Comput. 2018 Feb 13;14(2):973-980. doi: 10.1021/acs.jctc.7b01032. Epub 2018 Jan 8. J Chem Theory Comput. 2018. PMID: 29272111
Optimized Finite Difference Method for the Full-Potential XANES Simulations: Application to Molecular Adsorption Geometries in MOFs and Metal-Ligand Intersystem Crossing Transients.
Guda SA, Guda AA, Soldatov MA, Lomachenko KA, Bugaev AL, Lamberti C, Gawelda W, Bressler C, Smolentsev G, Soldatov AV, Joly Y. Guda SA, et al. J Chem Theory Comput. 2015 Sep 8;11(9):4512-21. doi: 10.1021/acs.jctc.5b00327. Epub 2015 Aug 11. J Chem Theory Comput. 2015. PMID: 26575941 Free article.