Table 3. Energetic and Dynamical Properties Calculated from the MD Simulations.
| property | NpO2+ | PuO2+ |
|---|---|---|
| ΔHhyd (kcal mol–1) | –166 ± 3 | –165 ± 3 |
| ΔHhydexp(59) (kcal mol–1) | –180 ± 20 | –178 ± 20 |
| DAn (10–5 cm2 s–1) | 1.1 ± 0.2 | 1.1 ± 0.2 |
| DAncorr (10–5 cm2 s–1) | 1.4 ± 0.2 | 1.4 ± 0.2 |
| DAn/DW | 0.44 ± 0.04 | 0.43 ± 0.04 |