•Find the transition state and calculate the barrier height for CH3F + F− → CH3F + F− with following model.
Model：
Gas/Microsolvation/Continuum Model
method：
MP2/aug-cc-pVTZ
Result:
Gas
| gas | TS | reactant | barrier |
| energy | -239.104 | -239.105 | 0.7 kcal/mol |
Microsolvation
| Microsolvation | TS | reactant | barrier |
| energy | -315.373 | -315.406 | 21.0 kcal/mol |
Continuum
| Continuum | TS | reactant | barrier |
| energy | -239.188 | -239.22 | 20.4 kcal/mol |
