All Stories

  1. Ionization potentials for the H2CO trimer
  2. The electron affinity of the uranium atom
  3. The Molpro quantum chemistry package
  4. Erratum: “Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn” [J. Chem. Phys. 151, 024303 (2019)]
  5. Bond energy of ThN+: A guided ion beam and quantum chemical investigation of the reactions of thorium cation with N2 and NO
  6. Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn
  7. Are ab initio quantum chemistry methods able to predict vibrational states up to the dissociation limit for multi-electron molecules close to spectroscopic accuracy?