| 1 |
Relativistic and Electron-Correlation Effects on the Nuclear Magnetic Resonance Shieldings of Molecules Containing Tin and Lead Atoms
Maldonado AF, Aucar GA
Journal of Physical Chemistry A, 118(36), 7863, 2014 |
| 2 |
Analysis of Electron Correlation Effects and Contributions of NMR J-Couplings from Occupied Localized Molecular Orbitals
Zarycz N, Aucar GA
Journal of Physical Chemistry A, 116(4), 1272, 2012 |
| 3 |
NMR Spectroscopic Parameters of Molecular Systems with Strong Hydrogen Bonds
Zarycz N, Aucar GA, Della Vedova CO
Journal of Physical Chemistry A, 114(26), 7162, 2010 |
| 4 |
Theoretical NMR spectroscopic analysis of the intramolecular proton transfer mechanism in ortho-hydroxyaryl (un-)substitued Schiff bases
Zarycz N, Aucar GA
Journal of Physical Chemistry A, 112(37), 8767, 2008 |
| 5 |
Interaction energies and NMR indirect nuclear spin-spin coupling constants in linear HCN and HNC complexes
Provasi PF, Aucar GA, Sanchez M, Alkorta I, Elguero J, Sauer SPA
Journal of Physical Chemistry A, 109(29), 6555, 2005 |
| 6 |
Theoretical study of HCN and HNC neutral and charged clusters
Sanchez M, Provasi PF, Aucar GA, Alkorta I, Elguero J
Journal of Physical Chemistry B, 109(38), 18189, 2005 |
| 7 |
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
Melo JI, de Azua MCR, Giribet CG, Aucar GA, Provasi PF
Journal of Chemical Physics, 121(14), 6798, 2004 |
| 8 |
Large long-range F-F indirect spin-spin coupling constants. Prediction of measurable F-F couplings over a few nanometers
Provasi PF, Aucar GA, Sauer SPA
Journal of Physical Chemistry A, 108(25), 5393, 2004 |
| 9 |
Hyperconjugation: The electronic mechanism that may underlie the Karplus curve of vicinal NMR indirect spin couplings
Provasi PF, Gomez CA, Aucar GA
Journal of Physical Chemistry A, 108(29), 6231, 2004 |
| 10 |
Relativistic mass-corrections to the heavy atom nuclear magnetic shieldings. Analysis of contributions in terms of localized orbitals
Gomez SS, Romero RH, Aucar GA
Chemical Physics Letters, 367(3-4), 265, 2003 |
