In the following we provide a comprehensive review of singlet fission in organic materials.
We first sketch an outline of the underlying theory and then turn to molecular crystals …

Photodynamic therapy (PDT) is a minimally-invasive procedure that has been clinically
approved for treating certain types of cancers. This procedure takes advantage of the …

Using TD-DFT, we performed simulations of the adiabatic energies of 40 fluorescent
molecules for which the experimental 0–0 energies in condensed phase are available. We …

The 0–0 energies of 80 medium and large molecules have been computed with a large
panel of theoretical formalisms. We have used an approach computationally tractable for …

We present an extension of our previously published benchmark set for low-lying valence
transitions of large organic dyes [L. Goerigk et al, Phys. Chem. Chem. Phys. 11, 4611 …

Indigo and its derivatives are dyes and pigments with a long and distinguished history in
organic chemistry. Recently, applications of this 'old'structure as a functional organic …

Time-dependent double-hybrid density functional methods are evaluated for the calculation
of vertical singlet–singlet valence excitation energies of a wide variety of organic molecules …

We describe the history of indigo dye and its derivative Tyrian purple, from their roles in the
ancient world to recent research showing the semiconducting properties of indigoids …

Research on semiconductor photocatalysts for the conversion of solar energy into chemical
fuels has been at the forefront of renewable energy technologies. Water splitting to produce …

Indigo, one of the most ancient and abundant dyes in human history, has recently emerged
as a potential functional motif due to its intriguing photochemical properties. This review …