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Relative free energies for the boat to chair inversion of cyclohexane. Results are listed for both the standard NMA and VSA. All values are listed in kcal∕mol and are computed using the global minimum as the reference. See Fig. 3 for definition of states.
| Conformer | Full NMA | VSA |
|---|---|---|
| TS [chair (A) - transition state (B)] | 9.8 | 10.1 |
| Twist-boat [chair (A) - twist boat (C)] | 6.5 | 6.7 |
| boat [chair (A) - boat (D)] | 7.1 | 7.3 |
