Transient Changes Molecular Geometries and How to Model Them: Simulating Chemical Reactions of Metal Complexes Solution Explore Dynamics, Solvation, Coherence, the Link Experiment

Light-induced chemical processes are accompanied by molecular motion of electrons and nuclei on the femtosecond time scale. Uncovering these dynamics is central to our understanding of the chemical reaction on a fundamental level. Asmus O. Dohn has implemented a highly efficient QM/MM Direct Dynamics method for predicting the solvation dynamics of transition metal complexes in solution.