Photochemistry and photophysics
Intersystem crossing in 4-thiouracil
Multiscale photo-relaxation of thiouracil is resolved through theory and experiments.
Photochemistry and photophysics
Revisiting the Excited State Dynamics of Thymine
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 and Software
Photoelectron Spectrum Simulations
Methods based on nuclear ensembles allow to simulate steady and time-resolved photoelectron spectra with absolute intensities.
Photochemistry and photophysics
Why One Water Molecule Makes Aminopurine Fluorescent
Using computational simulations of 2-aminopurine-water clusters, we show why a single water may turn the fluorescence of this molecule on.