return to home page

XX.

Hydrogen-bonded dimers

A.Experimental Data
B.Calculated Data
 1.List of dimers
  a.List of completed calculations by method/basis set
  b.List of completed calculations by molecule
 2.Hydrogen-bond strengths
C.Comparisons
 1.Counterpoise corrections
  a.Energies
  b.Geometries (use section IV.D.1)
  c.Vibrational Frequencies (use section III.G.7)