Description:Supramolecular Functional Systems: Rotaxanes and Catenanes. Large-ring Cyclodextrins
Abstract:Computational modelling and simulation studies of switching and shuttling processes at the molecular level are expected to provide valuable information for further miniaturization of electronic and mechano-optical devices. The knowledge will be increased for the molecular recognition between molecules that participate as components of molecular devices and machine, as well as for the nature of the chelate effect in organic systems. Insights will be gained on the role of steric effects in intramolecular cyclization reactions.