return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Ion data

  1. Species which change point group upon ionization.
  2. List of ions in CCCBDB
  3. Ionization Energies
    1. Calculated ionization energies
    2. Compare ionization energies
  4. Calculated electron affinities
  5. Compare Proton affinities