So far, the long lifetime of UV-excited thymine has been explained in terms of trapping in the second excited state. Simulations with electron correlation shows this hypothesis doesn’t hold.
Methods based on nuclear ensembles allow to simulate steady and time-resolved photoelectron spectra with absolute intensities. (more…)
Using computational simulations of 2-aminopurine-water clusters, we show why a single water may turn the fluorescence of this molecule on. (more…)