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Photo-Fries rearrangement plays a central role in organic synthesis. But how does it really work?
Sulfur bridge’s oxidation state dramatically changes the photoluminescence of bichromophores. That’s why.
Double-well shaped triplet state in thionucleobases can be used to tune singlet oxygen yields.
Want to do dynamics? This is how much it’ll cost. (more…)
Dynamics reveals how to design chemical substitutions to control proton transfer efficiency.
PySOC, a new program for fast and flexible computation of spin-orbit couplings.
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.