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Enthalpy and Gibbs free energy differences for pathway 2 of aliphatic isocyanate and alcohol reaction when DMTDA use as a catalyst.
| Molecular structure | Enthalpy ΔH [kJ mol−1] |
Gibbs Free energy ΔG [kJ mol−1] |
|---|---|---|
| Pre-complex_alcohol (11) | -86.20 | 14.70 |
| TS21 (12) | -54.35 | 56.28 |
| DMTMA + Urethane_AL | -89.88 | -40.52 |
