16 citations · 34 across the 7 of their papers we have counts for
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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…
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…