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Theoretical Analysis of the Role of the Solvent on the Reaction on the Reaction Mechanismus: One-Step versus Two-Step Ketene-Imine Cycloaddition.

Xavier AssfeldManuel F. Ruiz-LópezJ. GonzalezRamón LópezJosé A. SordoTomás L. Sordo Gonzalo
Published in: J. Comput. Chem. (1994)
Keyphrases
  • theoretical analysis
  • cooperative
  • preprocessing step
  • pattern recognition
  • post processing
  • numerical simulations
  • information retrieval
  • artificial neural networks
  • probability distribution