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- W2056522238 abstract "We synthesize a series of imine cage molecules where increasing the chain length of the alkanediamine precursor results in an odd–even alternation between [2 + 3] and [4 + 6] cage macrocycles. A computational procedure is developed to predict the thermodynamically preferred product and the lowest energy conformer, hence rationalizing the observed alternation and the 3D cage structures, based on knowledge of the precursors alone." @default.
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- W2056522238 date "2013-06-12" @default.
- W2056522238 modified "2023-10-06" @default.
- W2056522238 title "<i>In silico</i> Design of Supramolecules from Their Precursors: Odd–Even Effects in Cage-Forming Reactions" @default.
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- W2056522238 doi "https://doi.org/10.1021/ja404253j" @default.
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