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Time-dependent density functional theory (TDDFT) has been used to analyse the UV-Vis spectrum of the nickel octa ethyl substituted porphyrazinato complex. The correct ordering of the main bands (Q, B, N and several shoulders) of the experimental spectrum has been studied comparing results among different pure (BP, BLYP, LB94 and SAOP) and hybrid (B3LYP) functionals. Strong effects in the computed...
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