| Reactions | Energy of the transition state (TS) structure (a.u.) | Free energy of activation, Δ‡G0 (kcal/mol) | Rate of the reaction, k (s−1) |
| NAPA-A + H2O → [NAPA-A(H2O)1] | −763.803004 | 4.433355 | 3.490 × 109 |
| [NAPA-A(H2O)1] + H2O → [NAPA-A(H2O)2] | −840.229839 | 4.281497 | 4.514 × 109 |
| [NAPA-A(H2O)2] + H2O → [NAPA-A(H2O)3] | −916.663401 | 3.829062 | 9.688 × 109 |
| [NAPA-A(H2O)3] + H2O → [NAPA-A(H2O)4] | −993.086625 | 5.113575 | 1.108 × 109 |