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. 2015 Feb 20;6(4):2474–2487. doi: 10.1039/c4sc03294b

Fig. 8. Comparison of experimental (black) and TD-DFT calculated (red) Cu K-edge XANES spectra for complexes 1–5 and 9. Broad vertical bars from the baseline represent individual calculated transitions. Vertical bars above the pre-edge transitions provide calculated and experimental peak positions.

Fig. 8