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. 2019 Apr 22;4(4):7265–7284. doi: 10.1021/acsomega.8b03500

Figure 7.

Figure 7

Experimental UV–vis spectra of H2[(tBu)4Pc] and Zn[(tBu)4Pc]Pc in chloroform (TOP) and the sTD-DFT calculated spectra of H2Pc and ZnPc depending on the computational conditions listed in Table 5. The bandwidths in the simulated spectra were set to 0.05 eV.