III.F.1. (I.A.4.) |
List of which barriers to internal rotation calculations are completed at MP2=FULL /6-31G*
Species | Name | Rotor type |
---|---|---|
BH3NH3 | borane ammonia | BH3 |
CH3OH+ | Methyl alcohol cation | OH |
KCN | Potassium cyanide | KCN bend |
CuCN | Copper cyanide | CuCN |
O3H+ | protonated ozone | OH |
FONO | Nitrosyl hypofluorite | NO |
ClOOCl | Dichlorine dioxide | OCl |
SF3 | Sulfur trifluoride | SF2 |
HClO3 | Chloric Acid | OH |
CH2ClCHO | chloroacetaldehyde | CHO |