A computational approach for modeling and predicting triplet energy sensitization of organic
molecules is described, which involves sampling the instantaneous, vertical energy gaps …

Molecular dynamics simulations provide fundamental knowledge on the reaction
mechanism of a given simulated molecular process. Nevertheless, other methodologies …

Large intramolecular 13C kinetic isotope effects (KIEs) for the di-π-methane rearrangement
of benzobarrelene fit with statistical expectations from heavy-atom tunneling when a low …

Electrochemically triggered upconverted luminescence through triplet–triplet energy transfer
(TTET) and subsequent triplet–triplet annihilation upconversion (TTA-UC) is observed for the …

The nonadiabatic coupling terms (NACTs, F ij's) between triplet electronic states can be well
approximated with a very simple equation suggested recently [J. Chem. Phys. 146, 064107 …

Visible light energy transfer catalysis has emerged in recent years as an attractive synthetic
method for accessing high-energy intermediates, leading to the discovery of novel reactivity …

In this chapter, the basic concepts regarding molecular photophysics are introduced. First,
the interaction of light and matter is explained, including the time-dependent perturbation …

The application of mechanical forces on reactive systems allows the activation and control of
chemical reactivity. The study of mechanochemical activation of reactivity is currently mainly …

This thesis is a step towards exploiting singlet and triplet excitons in organic semiconductors
for multi-functional diodes. It details the device design and fabrication processes for …

Photochemistry lies at center of life due to its role in photosynthesis. Photochemical
reactions can achieve chemical transformations without the need for additional reagents or …