This review is devoted to tight-binding (TB) modeling of nucleic acid sequences like DNA
and RNA. It addresses how various types of order (periodic, quasiperiodic, fractal) or …

Within a tight-binding framework, we examine conformation-dependent charge transport
properties of the DNA double-helix, including helical symmetry and the possibility of multiple …

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

We employ two tight-binding (TB) approaches to systematically study the electronic structure
and hole or electron transfer in B-DNA monomer polymers and dimer polymers made up of …

Atomic carbon wires represent the ultimate one-atom-thick one-dimensional structure. We
use a Tight-binding (TB) approach to determine the electronic structure of polyynic and …

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 …

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 …

Helical molecules change their twist number under the effect of a mechanical load. We study
the twist-stretch relation for a set of short DNA molecules modeled by a mesoscopic …

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 …