Prof. Marco Garavelli, Alma Mater Studiorum Università di Bologna
EMAIL: marco.garavelli@unibo.it
Schedule: 30/01 14:00-17:00; 31/01 14:00-17:00
6h, 1CFU
During the lessons the theoretical framework related to the simulation of thermal and photoinduced reactions in molecular systems will be illustrated. This will encompass concepts such as potential energy surfaces, electronic states, minima and transition states, reaction pathways and coordinates, deactivation events in photoexcited molecules and branching of photoreactive processes, environmental effects. We will also demonstrate the arsenal of computational tools to map the reaction coordinates of (photo)chemical processes and perform in silico experiments