Light-driven phenomena in organic molecular aggregates underpin several mechanisms
relevant to optoelectronic applications. Modeling these processes is essential for aiding the …

Excited state aromaticity is a stimulating area of research, widely used as a probe to
describe and rationalize many photochemical phenomena. Herein, we review some of the …

We provide direct evidence of singlet fission occurring with water-soluble compounds. We
show that perylene-3, 4, 9, 10-tetracarboxylate forms dynamic dimers in aqueous solution …

To understand the influence of interchromophoric arrangements on photo-induced
processes and optical properties of aggregates, it is fundamental to assess the contribution …

In this Letter we analyze the forces involved in the formation of the benzene excimer and its
electron structure, and (anti) aromatic character. We extend our study to excited states in …

The present computational study explores the nature of spin singlet and triplet electronic
excitations in π-stacked aggregates of perylene-3, 4: 9, 10-bis (dicarboximide)(PDI) …

Triplet–triplet annihilation photon upconversion (TTA-UC) is a process able to repackage
two low-frequency photons into light of higher energy. This transformation is typically …

We describe the synthesis and spectroscopic study of the bichromophoric molecule DA-
meso consisting of two boron difluoride curcuminoid (BF 2-curcuminoid) units tethered by …

The modulation of intermolecular interactions upon aggregation induces changes in excited
state properties of organic molecules that can be detrimental for some optoelectronic …

Circular dichroism (CD) spectroscopy is a powerful technique employed to study the
structure of biomolecules. More accurate calculation of CD from first principles will aid both …