Almost seventy years after its discovery, the sodium–potassium adenosine triphosphatase
(the sodium pump) located in the cell plasma membrane remains a source of novel …

After photoexcitation of DNA, the excited electron (in the LUMO) and the remaining hole (in
the HOMO) localized on the same DNA base form a bound pair, called the Frenkel exciton …

Double-stranded DNA (dsDNA) has been established as an efficient medium for charge
migration, bringing it to the forefront of the field of molecular electronics and biological …

We study periodic, quasiperiodic (Thue-Morse, Fibonacci, period doubling, Rudin-Shapiro),
fractal (Cantor, generalized Cantor), Kolakoski, and random binary sequences using a tight …

Hole transfer along the axis of duplex DNA has been the focus of physical chemistry
research for decades, with implications in diverse fields, from nanotechnology to cell …

We report on the electronic structure, density of states and transmission properties of the
periodic one-dimensional tight-binding (TB) lattice with a single orbital per site and nearest …

Designing a molecular switch with bistable on/off states is of particular interest in molecular
electronics. Motivated by experimental studies of molecular conductors, interplays of …

Abstract We employ Real-Time Time-Dependent Density Functional Theory to study hole
oscillations within a B-DNA monomer (one base pair) or dimer (two base pairs). Placing the …

We study the energy structure and the coherent transfer of an extra electron or hole along
aperiodic polymers made of N monomers, with fixed boundaries, using B-DNA as our …

We study the frequency content of an extra carrier oscillation along characteristic periodic B-
DNA polymers made of N monomers. We employ two variants of the Tight-Binding …