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Figure 8
(a) Absorption spectra of the TAAP monomer in the gas phase, computed at the TD-DFT/B3LYP level (shifted by −0.33 eV), compared to the experimental absorption spectra of TAAP in toluene (50 µM). (b) Absorption spectra of the TAAP monomer and dimer in the gas phase, computed at the TD-DFT/B3LYP level (shifted by −0.33 eV).

IUCrJ
Volume 5| Part 3| May 2018| Pages 335-347
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518001987