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. 2017 Mar 3;7:43181. doi: 10.1038/srep43181

Table 5. Quantum chemical parameters for 29H,31H-Pc and 2,3-Nc77.

Macrocycle/Parameters EHOMO (eV) ELUMO (eV) ∆EL-H (eV) ϰ (eV)
29H,31H-Pc −4.98 −2.83 2.15 3.91
2,3-Nc −4.55 −2.76 1.79 3.66