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. Author manuscript; available in PMC: 2015 Jul 2.
Published in final edited form as: Inorg Chem. 2005 Mar 21;44(6):1826–1836. doi: 10.1021/ic0487068

Figure 7.

Figure 7

DFT-calculated energetic and geometric changes in the S = ½, 3/2, and 5/2 spin states of complex 2. Bond distance changes are indicated in ångstroms.