The Research Unit of Computational Chemistry takes advantage of a remarkable infrastructure of calculation, whose description is brought back in the meaningful equipment of the Department.
The research activity focuses mainly on various thematic:
- mapping of organic and bio-organic chromophores
- investigation of the mechanism of light energy wastage and exploitation in 1n,p* chromophores intersection space
- photochemistry of unsaturated carbonil compounds: acrolein and crotonaldehyde
- computer design of a novel bio-mimetic molecular motor, reaction path computations on the excited state of rodopsine proteins and their mutant.