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Physical Chemistry Chemical Physics : PCCP|October 22, 2009
The UKB prescription and the heavy atom effects on the nuclear magnetic shielding of vicinal heavy atomsAlejandro F Maldonado, Gustavo A AucarThe Journal of Physical Chemistry. A|August 12, 2014
Relativistic and electron-correlation effects on the nuclear magnetic resonance shieldings of molecules containing tin and lead atomsAlejandro F Maldonado, Gustavo A AucarPhysical Chemistry Chemical Physics : PCCP|March 26, 2025
Parity violation effects on the electric field gradientJuan J Aucar, Alejandro F MaldonadoThe Journal of Chemical Physics|January 14, 2026
Definitions of atoms in molecules with the modified Dirac equationsAndy D Zapata-Escobar, Alejandro F MaldonadoThe Journal of Chemical Physics|July 8, 2025
Relativistic definitions of atoms in molecules with the modified Dirac equationAndy D Zapata-Escobar, Alejandro F MaldonadoPhysical Chemistry Chemical Physics : PCCP|September 15, 2015
Theoretical analysis of NMR shieldings of group-11 metal halides on MX (M = Cu, Ag, Au; X = H, F, Cl, Br, I) molecular systems, and the appearance of quasi instabilities on AuFAlejandro F Maldonado, Juan I Melo, Gustavo A AucarThe Journal of Chemical Physics|December 31, 2022
High order relativistic corrections on the electric field gradient within the LRESC formalismJuan J Aucar, Alejandro F Maldonado, Juan I MeloThe Journal of Physical Chemistry. A|May 10, 2024
Electric Field Gradient in Chiral and Tetrahedral Molecules within High-Order LRESC FormalismJuan J Aucar, Juan I Melo, Alejandro F MaldonadoThe Journal of Chemical Physics|December 13, 2012
Relativistic effects on nuclear magnetic shieldings of CH(n)X(4-n) and CHXYZ (X, Y, Z = H, F, Cl, Br, I)Juan I Melo, Alejandro F Maldonado, Gustavo A AucarJournal of Chemical Information and Modeling|December 27, 2019
Performance of the LRESC Model on top of DFT Functionals for Relativistic NMR Shielding CalculationsJuan I Melo, Alejandro F Maldonado, Gustavo A AucarPageof 2