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. 2013 Jun 10;6(6):2372–2392. doi: 10.3390/ma6062372

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© 2013 by the authors;

licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).

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Optimized structure of the dye-oxide complex systems: (a) C343–Ti₂₄O₅₀H₄; (b) NKX-2398–Ti₂₄O₅₀H₄; (c) NKX-2311–Ti₂₄O₅₀H₄, at the DFT/BLYP/LANL2DZ level.