Transition states as chiral discriminators

  1. Produce the density and RDG data for each enantiomer so that only the intermolecular contributions are included
  2. Spline the results to obtain the low lying line of these data.
  3. This spline enables comparison of the interactions in the enantiomers:
  4. Integrate the points in a given enantiomer (S) that lie below the spline line of the other enantiomer (R).
  5. The (R) enantiomer has practically no interactions which are not present in (S)
  6. The (S) enantiomer shows extra attractive interactions not present in (R)