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. Author manuscript; available in PMC: 2011 Aug 1.
Published in final edited form as: Inorg Chem. 2010 Aug 2;49(15):7197–7215. doi: 10.1021/ic1010677

Figure 4.

Figure 4

QCC-NCA fit of the NRVS VDOS data of complex [57Fe(TPP)(MI)(NO)] (1) based on the BP86/TZVP result. Top: experimental powder data (black) and in-plane (blue) and out-of-plane (red) intensities form the QCC-NCA fit. Bottom: experimental powder data (black) and total NRVS VDOS intensity from the QCC-NCA fit (orange).