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Enthalpy and Gibbs free energy for transition states in polar and non-polar medium.
| Molecular structure | Enthalpy ΔH [kJ mol−1] |
Gibbs Free energy ΔG [kJ mol−1] |
|---|---|---|
| TS11 AL_N_T (25) | -21.27 | 90.98 |
| TS11 AL_N_W (26) | -10.58 | 92.86 |
| TS11 AL_O_T (27) | 7.76 | 123.75 |
| TS11 AL_O_W (28) | 15.57 | 122.84 |
| TS11 AR_N_T (29) | -10,01 | 103.90 |
| TS11 AR_N_W (30) | 0.26 | 105.99 |
| TS11 AR_O_T (31) | 6.87 | 124.12 |
| TS11 AR_O_W (32) | 15.19 | 124.29 |
