Through incremental change, Nature reworks and repurposes its functional machinery. In
this way, proteins that photochemically repair DNA by moving protons and electrons have a …

The scope of this article is to present an overview of the Density Functional based Tight
Binding (DFTB) method and its applications. The paper introduces the basics of DFTB and …

Although proteins are considered as nonconductors that transfer electrons only up to 1 to 2
nanometers via tunneling, Geobacter sulfurreducens transports respiratory electrons over …

DNA charge transport (CT) chemistry has received considerable attention by scientific
researchers over the past 15 years since our first provocative publication on long-range CT …

Theoretical investigations of charge transport in organic materials are generally based on
the “energy splitting in dimer” method and routinely assume that the transport parameters …

The experiment that the high spin selectivity and the length-dependent spin polarization are
observed in double-stranded DNA [Science 331, 894 (2011) SCIEAS 0036-8075 …

Carrier transport is an equally decisive factor as carrier separation for elevating
photocatalytic efficiency. However, limited by indefinite structures and low crystallinities …

The spin-selective transport through helical molecules has been a hot topic in condensed
matter physics, because it develops a new research direction in spintronics, ie, chiro …

The performance and key electronic properties of molecular organic semiconductors are
dictated by the interplay between the chemistry of the molecular core and the intermolecular …

We developed a model for hole migration along relatively short DNA hairpins with fewer that
seven adenine (A): thymine (T) base pairs. The model was used to simulate hole migration …