The objective is to eventually develop, through forcefield-based studies (molecular mechanics and molecular dynamics) of progressively more complex rotaxane-type systems (-rotaxanes, rotaxanes, crystalline systems), an advanced study of the behaviour of molecules interacting with organic porous supramolecular systems such as tubular cyclodextrins.
|Effective start/end date||22/11/01 → 1/10/05|
- supramolecular chemistry
- molecular sieve
- molecular dynamics
- molecular machine