Table 3. IP Energies (eV).
| solvent | P1 | P2 | P3 | P4-bend1 | P4-bend2 | P4-straight | |
|---|---|---|---|---|---|---|---|
| calcd | vacuum | 11.844 | 11.442 | 11.153 | 11.068 | 11.016 | 11.003 |
| water | 5.673 | 5.551 | 5.549 | 5.545 | 5.600 | 5.529 | |
| exp. | water | 5.830 | 5.720 | 5.730 | 5.820 | 5.820 | 5.820 |
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