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https://doi.org/10.1007/s00706-013-0954-2
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Cite Publication Date: Mar 27, 2013 | |
 Citations: 1 |
By using quantum–mechanical DFT calculations, the most probable structure of the cucurbit[5]uril·H3O+ cationic complex species was derived. In this complex, the hydroxonium cation H3O+ is bound by one linear hydrogen bond and two bifurcated hydrogen bonds to the five corresponding carbonyl oxygens of the parent macrocyclic receptor. .
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