All Stories

  1. Relativistic and QED effects on NMR magnetic shielding constant of neutral and ionized atoms and diatomic molecules

    Article • The Journal of Chemical Physics, May 2019, American Institute of Physics

    Gustavo Adolfo Aucar, Dr. Ignacio Agustin Aucar, Karol Kozioł

  2. Toward a QFT-based formalism of atomica and molecular properties

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Gustavo Adolfo Aucar

  3. Nuclear charge distribution effects on NMR J-couplings

    Article • The Journal of Chemical Physics, June 2012, American Institute of Physics

    Gustavo Adolfo Aucar

  4. The analysis of NMR J-couplings of saturated and unsaturated compounds by the localized second order polarization propagator approach method

    Article • The Journal of Chemical Physics, May 2012, American Institute of Physics

    Gustavo Adolfo Aucar

  5. Electron correlation effects on J-couplings from localized MOs

    Article • The Journal of Physical Chemistry A, January 2012, American Chemical Society (ACS)

    Gustavo Adolfo Aucar

  6. Relativistic effects on group-12 metal nuclear shieldings

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Perttu Lantto, Gustavo Adolfo Aucar

  7. A powerful theoretical tool: polarization propagators

    Article • International Reviews in Physical Chemistry, January 2010, Taylor & Francis

    Gustavo Adolfo Aucar

  8. The UKB prescription and the heavy atom effects on the nuclear magnetic shielding of vicinal heavy atoms

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    Gustavo Aucar, Gustavo Adolfo Aucar

  9. The appearance of an interval of energies that contain the whole diamagnetic contribution to NMR magnetic shieldings

    Article • The Journal of Chemical Physics, October 2007, American Institute of Physics

    Gustavo Adolfo Aucar

  10. The use of locally dense basis sets in the calculation of indirect nuclear spin–spin coupling constants: The vicinal coupling constants in H3C–CH2X (X=H, F, Cl, Br, I)

    Article • The Journal of Chemical Physics, April 2000, American Institute of Physics

    Dr Stephan P. A. Sauer, Gustavo Adolfo Aucar

  11. Relativistic theory for indirect nuclear spin–spin couplings within the polarization propagator approach

    Article • International Journal of Quantum Chemistry, September 1993, Wiley

    Gustavo Adolfo Aucar