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. Author manuscript; available in PMC: 2017 Sep 21.
Published in final edited form as: Can J Chem. 2014 Apr 15;92(10):975–978. doi: 10.1139/cjc-2014-0067

Figure 3.

Figure 3

NRVS spectra of (a) [Fe2(µ-OH)2(6Me2-BPP)2]2+ (structure depicted) obtained from experiment (dashed gray) and DFT computation (solid black), and the MMO models #1 (b), #2 (c) and #3 (d). Solid black and dashed gray spectra in (b)~(d) are simulated using constraints with a mass of 1 and 100, respectively.