In the present work, the quantum trajectory mean-field approach, which is able to overcome the overcoherence problem, was generalized to simulate internal conversion and intersystem crossing processes simultaneously. The photoinduced...

Sulfur-substituted nucleobases are the most potential photosensitizers widely used in photodynamic therapy and there are numerous studies exploring their unique photophysical behaviors. However, the relevant photophysical investigations on the selenium...

The photophysical and photochemical mechanisms of unnatural bases and sunscreen molecules predicted by electronic structure calculations.