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Keywords:

  • asymmetric addition;
  • benzaldehyde;
  • enantioselectivity;
  • structure–activity relationships;
  • zinc
Thumbnail image of graphical abstract

Excellent forecast: The selectivities for a set of chiral catalysts were predicted by methods derived from quantum mechanical molecular interaction fields that were applied to ground-state structures rather than transition-state structures. The predictions for the asymmetric addition of Et2Zn to PhCHO are in remarkable agreement with the experimental results (equation image=0.87).