While stimuli-responsive metal-organic frameworks have been widely investigated, much less is understood about structural flexibility in their covalent counterparts. Here, 3D diamondoid covalent-organic frameworks are studied via dynamic free energy simulations, revealing key insight into how the nature of the building blocks and the degree of interpenetration contribute to framework flexibility.
- Sander Borgmans
- Sven M. J. Rogge
- Veronique Van Speybroeck
