Transition metal complexes are of increasing interest as photosensitizers in photodynamic
therapy (PDT) and, more recently, for photochemotherapy (PCT). In recent years, Ru (II) …

Intersystem crossing (ISC), formally forbidden within nonrelativistic quantum theory, is the
mechanism by which a molecule changes its spin state. It plays an important role in the …

The lowest unoccupied molecular orbital (LUMO) energies of a variety of molecular organic
semiconductors have been evaluated using inverse photoelectron spectroscopy (IPES) data …

Ru (II) dyads derived from organic units that impart low-lying 3 IL excited states combine the
most attractive features of organic photosensitizers with those of coordination complexes …

In this tutorial review, we present some effective methodologies available for the simulation
of vibrational and vibrationally resolved electronic spectra of medium‐to‐large molecules …

The synthesis, comparative physicochemical properties, and solid-state structures of five
oligothiophene (nT) series differing in substituent nature and attachment, regiochemistry …

Configuration− interaction calculations are performed to describe the singlet and triplet
excited states of oligothiophene and oligo (phenylene ethynylene) conjugated chains …

Although thiophene-based materials are among the most widely studied conjugated
materials for a number of technological applications, most discussions of emissive …

A new type of organic electronic material, consisting of long α-oligofurans containing up to
nine rings, was synthesized and characterized. α-Oligofurans are highly fluorescent, with a …

Range-separated hybrid functionals along with global hybrids and pure density functionals
have been employed to calculate geometries, ionization energies (IP) s, electron affinities …