The corpus of electron transfer (ET) theory provides considerable power to describe the
kinetics and dynamics of electron flow at the nanoscale. How is it, then, that nucleic acid …

Hydrogen bonds play a critical role in nucleobase studies as they encode genes, map
protein structures, provide stability to the base pairs, and are involved in spontaneous and …

Simulations of nucleic acids at different levels of structural details are increasingly used to
complement and interpret experiments in different fields, from biophysics to medicine and …

DNA naturally exists in a solvent environment, comprising water and salt molecules such as
sodium, potassium, magnesium, etc. Along with the sequence, the solvent conditions …

Self-assembling circuit elements, such as current splitters or combiners at the molecular
scale, require the design of building blocks with three or more terminals. A promising …

The dynamics and efficiency of photoinduced charge transport has been investigated in
DNA capped hairpins possessing a stilbenedicarboxamide (Sa) hole donor and …

Intercalating ds-DNA/RNA with small molecules can play an essential role in controlling the
electron transmission probability for molecular electronics applications such as biosensors …

Guanine quadruplexes (G4) are four‐stranded DNA structures involved in biological
processes and are promising candidates for potential nanotechnological applications. This …

Charge transport across novel DNA junctions has been studied for several decades. From
early attempts to move charge across DNA double crossover junctions to recent studies on …

The extent of electronic wave function delocalization for the charge carrier (electron or hole)
in double helical DNA plays an important role in determining the DNA charge transfer …