This review describes the theory and implementation of implicit solvation models based on
continuum electrostatics. Within quantum chemistry this formalism is sometimes …

Chemical sensing using indicators, or chemosensor, has rapidly developed over the past
decades. Its chemistry covers a wide range of scientific fields, in which analytical and …

Solute− solvent intermolecular photoinduced electron transfer (ET) reaction was proposed to
account for the drastic fluorescence quenching behaviors of oxazine 750 (OX750) …

We report herein a comparison of the photophysics of a series of polythiophenes with
ionization potentials ranging from 4.8 to 5.6 eV as pristine films and when blended with 5 …

To study the early time hydrogen-bonding dynamics of chromophore in hydrogen-donating
solvents upon photoexcitation, the infrared spectra of the hydrogen-bonded solute− solvent …

The time-dependent density functional theory (TDDFT) method was performed to investigate
the excited-state hydrogen-bonding dynamics of fluorenone (FN) in hydrogen donating …

For deeper understanding of the coupling of electronic processes with conformational
motions, we exploit a tailored strategy to harness the excited-state planarization of N, N …

Photogenerated spin-correlated radical pairs (SCRPs) in electron donor–bridge–acceptor
(D–B–A) molecules can act as molecular qubits and inherently spin qubit pairs. SCRPs can …

Ultrafast photochemical processes can occur in parallel with the relaxation of the optically
populated excited state toward equilibrium. The latter involves both intra-and intermolecular …

Solution processable small molecules have been widely applied for photovoltaic (PV)
devices in recent years because they show strong absorption properties, and they can be …