Photosensitization and singlet oxygen Quantum chemistry
Spin-Exchange Internal Conversion (SEIC)
Simple proxies can predict diabatic and nonadiabatic couplings.
Photosensitization and singlet oxygen
Singlet Oxygen: Rates Strongly Depend on Geometry
Simulations show how to maximize reaction rates for singlet oxygen generation.
Methods and Software
A Kinetic Model for Singlet Oxygen Photogeneration
Reaction rates for energy transfer calculated from first principles.
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.