Quantum chemistry How Many Trajectories Should I Run?Want to do dynamics? This is how many trajectories you will need. (more…) By Mario Barbatti, 7 yearsApril 18, 2018 ago
Review Surface Hopping with DFT Excited StatesWhen and how to do surface hopping with DFT. By Mario Barbatti, 10 yearsFebruary 11, 2015 ago
Atmospheric photochemistry Photochemistry of HydrochlorofluorocarbonsThe photochemistry of an HCFC is explained via ultrafast dynamics simulations. (more…) By Mario Barbatti, 11 yearsOctober 22, 2014 ago
Photochemistry and photophysics Photorelaxation induced by solvent-chromophore electron transferA new internal conversion mechanism induced by electron transfer from solvent to chromophore has been revealed by dynamics simulations. (more…) By Mario Barbatti, 11 yearsJuly 15, 2014 ago
