Alejandro F. Maldonado

Centro Científico Tecnológico - Nordeste — Argentina

Physics and Astronomy · Physical Sciences

16h-index617citations40works0.82yr avg
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Research Topics

Advanced Chemical Physics Studies(29), Advanced NMR Techniques and Applications(13), Spectroscopy and Quantum Chemical Studies(6), Atomic and Molecular Physics(5), Magnetism in coordination complexes(5)

Publications40 total

Definitions of atoms in molecules with the modified Dirac equations
The Journal of Chemical Physics·2026
Coordination of lead( <scp>ii</scp> ) 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 density
Physical Chemistry Chemical Physics·2025
Author response for "Coordination of Lead (II) in Solvated Clusters with Water [Pb(H2O)1-8 2+: Insights from Relativistic Effects, Energy Analysis, Molecular Orbitals, and Electron Density"
2025
The Two-component LRESC Model
2025
Relativistic definitions of atoms in molecules with the modified Dirac equation
The Journal of Chemical Physics·2025· 1 cited
The role of relativistic effects in anisotropy for NMR shielding tensors: A study using the LRESC model
The Journal of Chemical Physics·2025· 1 cited
Parity violation effects on the electric field gradient
Physical Chemistry Chemical Physics·2025
Electric Field Gradient in Chiral and Tetrahedral Molecules within High-Order LRESC Formalism
The Journal of Physical Chemistry A·2024· 4 cited
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 Analysis
The Journal of Physical Chemistry A·2023· 9 citedOpen Access
Relativistic Propagators: Theory and Applications
Elsevier eBooks·2023· 4 cited
NMR Magnetic Shielding in Transition Metal Compounds Containing Cadmium, Platinum, and Mercury
Magnetochemistry·2023· 8 citedOpen Access
NMR Magnetic Shielding in Transition Metal Compounds Containing Cadmium, Platinum, and Mercury
Preprints.org·2023· 1 citedOpen Access
The LRESC-Loc Model to Analyze Magnetic Shieldings with Localized Molecular Orbitals
The Journal of Physical Chemistry A·2022· 8 cited
High order relativistic corrections on the electric field gradient within the LRESC formalism
The Journal of Chemical Physics·2022· 6 cited
Relativistic corrections of the electric field gradient in dihalogen molecules <scp><i>XY</i></scp> (<i>X</i>, <i>Y</i> = F, Cl, Br, I, At) within the linear response elimination of the small component formalism
International Journal of Quantum Chemistry·2021· 7 cited
Microsolvation of Sr<sup>2+</sup>, Ba<sup>2+</sup>: Structures, energies, bonding, and nuclear magnetic shieldings
International Journal of Quantum Chemistry·2021· 8 citedOpen Access
Microsolvation of heavy halides
International Journal of Quantum Chemistry·2020· 18 citedOpen Access
Relativistic effects on the energetic stability of $$\hbox {Pb}_5$$ clusters
Theoretical Chemistry Accounts·2020· 1 cited
Performance of the LRESC Model on top of DFT Functionals for Relativistic NMR Shielding Calculations
Journal of Chemical Information and Modeling·2019· 9 cited
La naturaleza de la ciencia en el nivel medio en la ciudad de Corrientes, Argentina
SHILAP Revista de lepidopterología·2019Open Access
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Frequent Co-authors

Gustavo A. Aucar(24), Juan I. Melo(12), Andy D. Zapata–Escobar(6), Juan J. Aucar(5), Albeiro Restrepo(3), Carlos A. Giménez(3), Yuly Chamorro(3), Edison Florez(3), Edison Flórez(2), Franklin Ferraro(2), Ana Isabel Suárez(2), Andy Zapata(2), F. Gómez(2), Rodolfo H. Romero(1), Juho Roukala(1), Juha Vaara(1), Perttu Lantto(1), I. Agustín Aucar(1), Jorge David(1), Marcos D. A. Montero(1)