A DFT study has been performed on monomers and dimers of new cyclic structures, cyclodioxabislactams, which are expected to bring about tubular structures through a stacking process settled by hydrogen-bonding between antiparallel peptidic groups. Different stacking modes have been found with significant effects on the energetics of the assembling process.
|Numero di pagine||4|
|Rivista||Chemical Physics Letters|
|Stato di pubblicazione||Published - 2004|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry