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. Author manuscript; available in PMC: 2015 Dec 28.
Published in final edited form as: Dalton Trans. 2014 Oct 14;43(48):17949–17963. doi: 10.1039/c4dt02483d

Figure 6.

Figure 6

First coordination sphere of [MnIII(O2)(TpPh2)(THF)] and D-tensor coordinate system from CP-DFT computations. The C2v symmetry labels for the Mn 3d orbitals using the D-tensor coordinate system are provided.