16 citations · 34 across the 7 of their papers we have counts for
7 papers
A Relationship between the Molecular Parity-Violation Energy and the Electronic Chirality Measure
Juan J. Aucar, Alessandro Stroppa, Gustavo A. Aucar
When the weak-forces producing parity-violating effects are taken into account, there is a tiny energy difference between the total electronic energies of two enantiomers ($ΔE_{PV}…
Relativistic and quantum electrodynamics effects on NMR shielding tensors of Tl ( = H, F, Cl, Br, I, At) molecules
Karol Kozioł, I. Agustín Aucar, Konstantin Gaul +2
Results of relativistic calculations of nuclear magnetic resonance shielding tensors () for the thallium monocation (Tl), thallium hydride (TlH) and thallium halides (TlF, T…
On the Evaluation of the electron repulsion integrals
A. Bağcı, Gustavo A. Aucar
The electron repulsion integrals over the Slater-type orbitals with non-integer principal quantum numbers are considered. These integrals are useful in both non-relativistic and re…
Relativistic relationship between nuclear-spin-dependent parity-violating NMR shielding and nuclear spin-rotation tensors
Ignacio Agustín Aucar, Mariano Tomás Colombo Jofré, Gustavo Adolfo Aucar
It is known that the nuclear-spin-dependent parity-violating contributions to the NMR shielding and the nuclear spin-rotation tensors ( and , respective…
Relativistic and QED corrections to one-bond indirect nulcear spin-spin couplings in X and X ions (X = Zn, Cd, Hg)
Mariano Colombo Jofré, Karol Kozioł, I. Agustín Aucar +3
The indirect nuclear spin-spin coupling tensor, , between mercury nuclei in Hg-containing systems can be of the order of few kHz and one of the largest measured. We cond…
Relativistic Quantum Calculations to Understand the Contribution of f-Orbitals and Chemical Bonding of Actinides with Organic Ligands
Andy D. Zapata-Escobar, Srimanta Pakhira, Joaquin Barroso-Flores +2
The nuclear waste problem is one of the main interests of the rare earth and actinide elements chemistry. Studies of Actinide-containing compounds are at the frontier of the applic…