III.F.1. (I.A.4.) |
List of which barriers to internal rotation calculations are completed at MP2=FULL /cc-pVTZ
Species | Name | Rotor type |
---|---|---|
BH3NH3 | borane ammonia | BH3 |
CH3OH+ | Methyl alcohol cation | OH |
CuCN | Copper cyanide | CuCN |
O3H+ | protonated ozone | OH |
FONO | Nitrosyl hypofluorite | NO |
ClOOCl | Dichlorine dioxide | OCl |
HClO3 | Chloric Acid | OH |
CH2ClCHO | chloroacetaldehyde | CHO |
CH2ClCH2Cl | Ethane, 1,2-dichloro- | CH2Cl |
CHF2CHF2 | 1,1,2,2-tetrafluoroethane | CHF2 |