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in press results
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4+ ring is located around the TTF unit, the HOMO is localized on the TTF unit, while the LUMO is localized on the DNP ring system. In the metastable state, where the ring encircles the DNP ring system, the HOMO and LUMO are both delocalized across both recognition sites. See also a report on "Computational Nanotechnology" by E. K. Wilson, Chem. Eng. News 2003, April 28, 27-29.
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April 28
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4+ ring is located around the TTF unit, the HOMO is localized on the TTF unit, while the LUMO is localized on the DNP ring system. In the metastable state, where the ring encircles the DNP ring system, the HOMO and LUMO are both delocalized across both recognition sites. See also a report on "Computational Nanotechnology" by E. K. Wilson, Chem. Eng. News 2003, April 28, 27-29.
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