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. 2016 Aug 30;3(6):062601. doi: 10.1063/1.4961953

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© 2016 Author(s).

2329-7778/2016/3(6)/062601/11

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FIG. 5. — 1D-RIXS spectra (not normalized) of the [Heme B–Cl]⁰ dimer (red filled curves) calculated with the TPA basis and different orientations of the COOH groups (a) 0°, (b) 90°, and (c) 180° for three excitation energies. The monomer spectra are shown for comparison as well (×2, black lines).