Conspectus Oxygenic photosynthesis is the fundamental energy-converting process that
utilizes sunlight to generate molecular oxygen and the organic compounds that sustain life …

MRCC is a package of ab initio and density functional quantum chemistry programs for
accurate electronic structure calculations. The suite has efficient implementations of both low …

We provide an overview of the successive steps that made it possible to obtain increasingly
accurate excitation energies with computational chemistry tools, eventually leading to …

The importance of intermediate triplet states and the nature of excited states has gained
interest in recent years for the thermally activated delayed fluorescence (TADF) mechanism …

Excimers are supramolecular systems whose binding strength is influenced by many factors
that are ongoing challenges for computational methods, such as charge transfer, exciton …

The numerous existing publications on benchmarking quantum chemistry methods for
excited states rarely include Charge Transfer (CT) states, although many interesting …

The recently developed narrow-band blue-emitting organoboron chromophores based on
the multiple-resonance (MR) effect have now become one of the most important components …

In the framework of the computational determination of highly accurate vertical excitation
energies in small organic compounds, we explore the possibilities offered by the equation-of …

This work presents a series of highly accurate excited-state properties obtained using high-
order coupled-cluster (CC) calculations performed with a series of diffuse containing basis …

Four donor–acceptor salicylaldimines with benzoheterocyclic substituents at nitrogen imine
were prepared and characterised by means of optical spectroscopy. Their luminescent …