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Figure 4
(a) Peak-normalized absorption spectrum of the compound in methanolic solution (blue), Kubelka–Munk (KM) transformed diffuse reflectance solid-state spectrum (red) and TD–DFT calculated transitions (green). (b) Mol­ecular orbital energy levels and the relevant Kohn–Sham orbitals.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
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