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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. Among authors: guda aa. 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.
Effect of Molecular Guest Binding on the d-d Transitions of Ni2+ of CPO-27-Ni: A Combined UV-Vis, Resonant-Valence-to-Core X-ray Emission Spectroscopy, and Theoretical Study.
Gallo E, Gorelov E, Guda AA, Bugaev AL, Bonino F, Borfecchia E, Ricchiardi G, Gianolio D, Chavan S, Lamberti C. Gallo E, et al. Among authors: guda aa. Inorg Chem. 2017 Dec 4;56(23):14408-14425. doi: 10.1021/acs.inorgchem.7b01471. Epub 2017 Oct 4. Inorg Chem. 2017. PMID: 28976176 Free article.
Partial and Complete Substitution of the 1,4-Benzenedicarboxylate Linker in UiO-66 with 1,4-Naphthalenedicarboxylate: Synthesis, Characterization, and H2-Adsorption Properties.
Butova VV, Budnyk AP, Charykov KM, Vetlitsyna-Novikova KS, Bugaev AL, Guda AA, Damin A, Chavan SM, Øien-Ødegaard S, Lillerud KP, Soldatov AV, Lamberti C. Butova VV, et al. Among authors: guda aa. Inorg Chem. 2019 Jan 22;58(2):1607-1620. doi: 10.1021/acs.inorgchem.8b03087. Epub 2019 Jan 9. Inorg Chem. 2019. PMID: 30624909
45 results