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Molecular Tweezers in Host-Guest Complexes: A Computational Study through a DFT-D Approach

Archive ouverte | Graton, Jérôme | CCSD

International audience. The interactions of small organic molecules with a recently designed molecular tweezer have been modeled using density functional theory approaches. The weak values of the complexation consta...

A DFT-D evaluation of the complexation of a molecular tweezer with small aromatic molecules

Archive ouverte | Graton, Jérôme | CCSD

International audience. We use dispersion-corrected density functional theory approaches (DFT-D) to investigate the structure and properties of complexes constituted of an aromatic tweezer and aromatic molecules. It...

Secondary metabolites from lichens as promising inhibitors of the formation of pentosidine like advanced glycosylation end products

Archive ouverte | Schinkovitz, Andreas | CCSD

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