Table 1. Computed λmax of PCLR with Four Different Functionals.
| methods | λmaxcal (nm) | λmaxexp (nm) |
|---|---|---|
| B3LYP | 719 | 675 |
| MPW1PW91 | 663 | |
| WB97XD | 512 | |
| CAM-B3LYP | 529 |
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