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Ion parameters and properties
| Ion | σ (Å) | ε (kcal/mol) | nhs* | 1st peak | 1st min | 2nd peak |
|---|---|---|---|---|---|---|
| Na+ | 2.74 | −0.1 | 6.7 | 2.3 | 3.1 | 4.4 |
| Cl− | 4.29 | −0.15 | 9.9 | 3.2 | 3.8 | 4.6 |
| I− | 4.82 | −0.15 | 11.4 | 3.5 | 4.1 | 4.6 |
| X− | 5.89 | −0.15 | 30.2 | 4.1 | 5.8 | 7.1 |
Number of waters in the primary ionic hydration shell (hs) defined by the first minimum of the g(r) functions.
