This review provides the fundamental theoretical tools for the development of a complete
wave‐function formalism for the study of time‐evolution of chemico‐physical systems at finite …

High-energy radiation and oxidizing agents can ionize DNA. One electron oxidation gives
rise to a radical cation whose charge (hole) can migrate through DNA covering several …

The twin-formulation of quantum statistical mechanics is employed to describe a new
methodology for the solution of the equations of motion of the reduced density matrix in their …

Quantum electron-vibrational dynamics in molecular systems at finite temperature is
described using an approach based on the thermo field dynamics theory. This formulation …

In recent years, an increasing number of fully organic molecules capable of thermally
activated delayed fluorescence (TADF) have been reported, often with very small or even …

One of the key factors limiting the charge mobility of molecular semiconductors is the
fluctuation of transfer integrals, also known as dynamic disorder. This is a manifestation of …

The discovery of triangular‐shaped molecules displaying an inverted singlet–triplet
(INVEST) energy gap between their lowest singlet (S1) and triplet (T1) states opened the …

In the framework of a multistep mechanism in which environmental motion triggers
comparatively faster elementary electron-transfer steps and stabilizes hole-transfer products …

Crystalline donor–acceptor (D–A) systems serve as an excellent platform for studying CT
exciton creation, migration, and dissociation into free charge carriers for solar energy …

The anisotropic field effect mobilities of four prototypical semiconducting materials, that is,
single crystals of pentacene, tetracene, picene, and rubrene, are evaluated by using the …