Gustavo A. Aucar

The effect of lone pairs and electronegativity on the indirect nuclear spin–spin coupling constants in CH2X (X=CH2, NH, O, S): <i>Ab initio</i> calculations using optimized contracted basis sets

Patricio F. Provasi, Gustavo A. Aucar, Stephan P. A. Sauer · The Journal of Chemical Physics · 2001 · 275 citations · Full text

Natural Sciences, Chemistry, Physics +16

On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties

Gustavo A. Aucar, Trond Saue, Lucas Visscher et al. · The Journal of Chemical Physics · 1999 · 216 citations · Full text

Natural Sciences, Physics, Mathematical Physics +13

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

Gustavo A. Aucar, Jens Oddershede · International Journal of Quantum Chemistry · 1993 · 110 citations

Natural Sciences, Physics, Atomic Physics +14

Polarization propagators: A powerful theoretical tool for a deeper understanding of NMR spectroscopic parameters

Gustavo A. Aucar, Rodolfo H. Romero, Alejandro F. Maldonado · International Reviews in Physical Chemistry · 2010 · 101 citations

Natural Sciences, Chemistry, Physics +17

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)

Patricio F. Provasi, Gustavo A. Aucar, Stephan P. A. Sauer · The Journal of Chemical Physics · 2000 · 100 citations · Full text

Natural Sciences, Chemistry, Physics +17