Table 2. Reorganization free energies computed by MDFT viaeqn (18) and (19) for both ET reactions.
| Species | Cl0/Cl– (kJ mol–1) | Cl0/Cl+ (kJ mol–1) |
| Cl0 | 297 | 214 |
| Cl– | 264 | N/A |
| Cl+ | N/A | 218 |
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