| The D alton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014 | 1467 | 2014 |
| Relativistic effects on the nuclear magnetic shielding tensor JI Melo, MC Ruiz de Azua, CG Giribet, GA Aucar, RH Romero The Journal of chemical physics 118 (2), 471-486, 2003 | 111 | 2003 |
| Relativistic effects on nuclear magnetic shielding constants in HX and CH3X (X= Br, I) based on the linear response within the elimination of small component approach JI Melo, MC Ruiz de Azua, CG Giribet, GA Aucar, PF Provasi The Journal of chemical physics 121 (14), 6798-6808, 2004 | 80 | 2004 |
| Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods V Arcisauskaite, JI Melo, L Hemmingsen, S Sauer The Journal of chemical physics 135 (4), 2011 | 66 | 2011 |
| Magnetic exchange couplings with range-separated hybrid density functionals JE Peralta, JI Melo Journal of Chemical Theory and Computation 6 (6), 1894-1899, 2010 | 62 | 2010 |
| Relativistic calculation of indirect NMR spin-spin couplings using the Douglas-Kroll-Hess approximation JI Melo, MC Ruiz de Azúa, JE Peralta, GE Scuseria The Journal of chemical physics 123 (20), 2005 | 54 | 2005 |
| Relativistic effects on the shielding of SnH2XY and PbH2XY (X, Y = F, Cl, Br and I) heavy atom–containing molecules JI Melo, A Maldonado, GA Aucar Theoretical Chemistry Accounts 129 (3), 483-494, 2011 | 37 | 2011 |
| Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei. II. Quantitative results in HX (X= H, F, Cl, Br, I … IA Aucar, SS Gómez, JI Melo, CC Giribet, MC Ruiz de Azúa The Journal of Chemical Physics 138 (13), 2013 | 35 | 2013 |
| Core-dependent and ligand-dependent relativistic corrections to the nuclear magnetic shieldings in MH4−n Y n (n = 0–4; M = Si, Ge … AF Maldonado, GA Aucar, JI Melo Journal of molecular modeling 20, 1-15, 2014 | 26 | 2014 |
| Foundations of the LRESC model for response properties and some applications GA Aucar, JI Melo, IA Aucar, AF Maldonado International Journal of Quantum Chemistry 118 (1), e25487, 2018 | 25 | 2018 |
| Formal relations connecting different approaches to calculate relativistic effects on molecular magnetic properties DG Zaccari, MC Ruiz de Azua, JI Melo, CG Giribet The Journal of chemical physics 124 (5), 2006 | 25 | 2006 |
| Magnetic properties of mononuclear Co (II) complexes with carborane ligands DR Alcoba, OB Ona, GE Massaccesi, A Torre, L Lain, JI Melo, JE Peralta, ... Inorganic chemistry 57 (13), 7763-7769, 2018 | 23 | 2018 |
| Orbital contributions to relativistic corrections of the NMR nuclear magnetic shielding tensor originated in scalar field-dependent operators MC Ruiz de Azua, JI Melo, CG Giribet Molecular Physics 101 (20), 3103-3109, 2003 | 22 | 2003 |
| H. gren, WIREs Comput K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Mol. Sci 4, 269-284, 2014 | 19 | 2014 |
| Structural dependence of magnetic exchange coupling parameters in transition-metal complexes JI Melo, JJ Phillips, JE Peralta Chemical Physics Letters 557, 110-113, 2013 | 18 | 2013 |
| Relativistic effects on nuclear magnetic shieldings of CHnX4− n and CHXYZ (X, Y, Z= H, F, Cl, Br, I) JI Melo, AF Maldonado, GA Aucar The Journal of Chemical Physics 137 (21), 2012 | 18 | 2012 |
| Relativistic corrections to the diamagnetic term of the nuclear magnetic shielding: Analysis of contributions from localized orbitals SS Gómez, JI Melo, RH Romero, GA Aucar, MR de Azúa The Journal of chemical physics 122 (6), 2005 | 18 | 2005 |
| 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 AuF AF Maldonado, JI Melo, GA Aucar Physical Chemistry Chemical Physics 17 (38), 25516-25524, 2015 | 14 | 2015 |
| Magnetic properties of Co (II) complexes with polyhedral carborane ligands OB Ona, DR Alcoba, GE Massaccesi, A Torre, L Lain, JI Melo, ... Inorganic Chemistry 58 (4), 2550-2557, 2019 | 13 | 2019 |
| Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit–Pauli spinors D Zaccari, JI Melo, MC Ruiz de Azua, CG Giribet The Journal of chemical physics 130 (8), 2009 | 13 | 2009 |
Gustavo Adolfo AucarProfessor of Physics. Northeastern University of ArgentinaEmail verificata su unne.edu.ar