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The Journal of Chemical Physics|May 15, 2025
The role of relativistic effects in anisotropy for NMR shielding tensors: A study using the LRESC modelJuan J Aucar, Alejandro F Maldonado, Juan I MeloJournal of Molecular Modeling|September 10, 2014
Core-dependent and ligand-dependent relativistic corrections to the nuclear magnetic shieldings in MH4-n Y n (n = 0-4; M = Si, Ge, Sn, and Y = H, F, Cl, Br, I) model compoundsAlejandro F Maldonado, Gustavo A Aucar, Juan I MeloThe Journal of Chemical Physics|June 21, 2012
Nuclear charge-distribution effects on the NMR spectroscopy parametersAlejandro F Maldonado, Carlos A Giménez, Gustavo A AucarThe Journal of Physical Chemistry. A|December 13, 2022
The LRESC-Loc Model to Analyze Magnetic Shieldings with Localized Molecular OrbitalsAndy D Zapata Escobar, Alejandro F Maldonado, Gustavo A AucarPhysical Chemistry Chemical Physics : PCCP|December 24, 2025
Coordination of lead(II) in solvated clusters with water [Pb(H<sub>2</sub>O)<sub>1-8</sub>]<sup>2+</sup>: insights from relativistic effects, energy analysis, molecular orbitals, and electron densityAndy D Zapata-Escobar, Franklin Ferraro, Edison Flórez, et al.Physical Chemistry Chemical Physics : PCCP|December 17, 2015
Microsolvation of methylmercury: structures, energies, bonding and NMR constants ((199)Hg, (13)C and (17)O)Edison Flórez, Alejandro F Maldonado, Gustavo A Aucar, et al.Physical Chemistry Chemical Physics : PCCP|October 21, 2011
Relativistic effects on group-12 metal nuclear shieldingsJuho Roukala, Alejandro F Maldonado, Juha Vaara, et al.The Journal of Physical Chemistry. A|September 6, 2023
Coordination of Mercury(II) in Water Promoted over Hydrolysis in Solvated Clusters [Hg(H<sub>2</sub>O)<sub>1-6</sub>]<sub>(aq)</sub><sup>2+</sup>: Insights from Relativistic Effects and Free Energy AnalysisEdison Florez, Andy D Zapata-Escobar, Franklin Ferraro, et al.Pageof 2