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Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development of the molecular mechanics-based program ACE and application to asymmetric epoxidation reactions.

Nathanael WeillChristopher R. CorbeilJoris W. De SchutterNicolas Moitessier
Published in: J. Comput. Chem. (2011)
Keyphrases
  • software application
  • chemical reactions
  • decision support
  • knowledge based systems
  • information processing
  • user friendly
  • development environment
  • cross platform
  • program understanding
  • programming environments