Photochemistry and photophysics
The reason ISC is faster in seleno- than in thioguanine
Hint: it isn’t only about SOC!
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Organic photodevices
How to activate phosphorescence in a fluorescent molecule
Chemical induction of a CT state can restrain fluorescence, promoting ISC.
Photochemistry and photophysics
Intersystem crossing in 4-thiouracil
Multiscale photo-relaxation of thiouracil is resolved through theory and experiments.
Photosensitization and singlet oxygen
Influence of Sugar on Triplet Decay of Thionucleosides
Functionalization of the sugar group can be used to control the triplet-decay rate of thionucleosides.
Photosensitization and singlet oxygen
On the Decay of the Triplet State of Thionucleobases
Double-well shaped triplet state in thionucleobases can be used to tune singlet oxygen yields.
Methods and Software
Spin-Orbit Couplings Based on Density Functional Theory
PySOC, a new program for fast and flexible computation of spin-orbit couplings.
Photosensitization and singlet oxygen
Explaining the Photophysics of Thiothymines
Why does replacing different oxygens of thymine with sulfur cause distinct absorption and intersystem crossing?