Conformational plasticity of hydrogen bonded bis-urea supramolecular polymers

…, R Guillot, B Andrioletti, D Suhr, B Isare…

文献索引：Roman, Mihaela; Cannizzo, Caroline; Pinault, Thomas; Isare, Benjamin; Andrioletti, Bruno; Van Der Schoot, Paul; Bouteiller, Laurent Journal of the American Chemical Society, 2010 , vol. 132, # 47 p. 16818 - 16824

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被引用次数: 9

摘要

We report a detailed structural investigation of supramolecular polymers formed by hydrogen bonded self-assembly of bis-urea monomers. The careful exploration of the energy landscape by molecular mechanics/molecular dynamics (MM/MD) simulations has allowed us to identify three distinct self-assembled structures of similar stabilities. These structures have been compared to X-ray crystal data. We observe that a slight change in ...