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. Author manuscript; available in PMC: 2011 Apr 19.
Published in final edited form as: Inorg Chem. 2010 Apr 19;49(8):3573–3583. doi: 10.1021/ic901814f

Figure 4.

Figure 4

Figure 4

The optimized Cu(II) coordination (brown) in the α (A), β (B) and γ (C) sites of ZSM-5 containing 1 or 2 lattice Al T-sites. The corresponding Cu-O distances (Å), Cu(II) binding energies (kcal mol−1) and g-factors of the distorted sites are given. The Cu(II) free sites are shown as α0, β0 and γ0. 49 Reproduced by permission of the PCCP Owner Societies.