RESEARCH ACTIVITY OF THE RU
- Studies of the behaviour of the target guest systems in hydrophobic zeolites with different framework topology to single out the most promising host-guest pairs in view of the experiments.
- Use of computational approaches for reactive events simulations to evidence pressure-induced chemical reactions and to determine their mechanism and activation barrier.
- UV-Vis spectra of the dye-zeolite L systems
- First principles simulations on the dye-zeolite L hybrids at ambient pressure to determine the host-guest and guest-guest interactions responsible of the optical properties of the composite material.
- Simulations of the systems showing irreversible modifications of the optical properties, using the data from the HP diffraction experiments performed by UNIMI and UNITO.