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Comparison of different ab initio theoretical models for calculating isodesmic reaction energies for small ring and related compounds.

Kenneth B. WibergJoseph W. Ochterski
Published in: J. Comput. Chem. (1997)
Keyphrases
  • theoretical models
  • graph cuts
  • higher order
  • experimental data
  • machine learning
  • preprocessing
  • small number