Ab initio

  1. Additive covalent radii fitted for near-sixfold metal bonds
    Additive covalent radii for sixfold metal-metal bonded dimers across transition metals and actinides with 12 valence electrons in (1σ)²(2σ)²π⁴δ⁴ configuration.
  2. First ab initio nuclear Schiff moment calculated for 19F
    First ab initio nuclear calculation of fluorine-19 Schiff moment reveals new constraints on fundamental symmetry violations through precision molecular spectroscopy measurements.