1 citations · 1 across the 1 of their papers we have counts for
3 papers
physics.chem-ph2026★ 1 cited
Parity violation effects in helical osmocene: theoretical analysis and experimental prospects
Eduardus, Agathe Bonifacio, Mathieu Manceau +11
We present a computational investigation of the parity-violating (PV) contributions to the vibrational transitions and nuclear magnetic resonance shieldings of helical osmocene. A…
physics.chem-ph2018
Equation-of-Motion Coupled-Cluster Theory based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian. Energies for single electron detachment, attachment and electronically excited states
Avijit Shee, Trond Saue, Lucas Visscher +1
We report in this paper an implementation of 4-component relativistic Hamiltonian based Equation-of-Motion Coupled-Cluster with singles and doubles (EOM-CCSD) theory for the calcul…
physics.atom-ph2018
An oxorhenium complex bearing a chiral cyclohexane-1-olato-2-thiolato ligand: synthesis, stereochemistry and theoretical study of parity violation vibrational frequency shifts
Nidal Saleh, Radovan Bast, Nicolas Vanthuyne +4
In our effort towards measuring the parity violation energy difference between two enantiomers, a simple chiral oxorhenium complex 5 bearing enantiopure 2-mercaptocyclohexan-1-ol h…