Electronic transport properties of single-molecule junctions have been widely measured by
several techniques, including mechanically controllable break junctions, electromigration …

Single molecule electronic devices in which individual molecules are utilized as active
electronic components constitute a promising approach for the ultimate miniaturization and …

Recent STM molecular break-junction experiments have revealed multiple series of peaks in
the conductance histograms of alkanedithiols. To resolve a current controversy, we present …

Although research on molecular electronics has drawn increasingly more attention in the
last decade, the large spread in obtained results for the conduction rescaled to a single …

The electrical transport through self-assembled monolayers of alkanedithiols was studied in
large-area molecular junctions and described by the Simmons model [Simmons JG (1963) J …

Electronic transport through ruthenium-based redox-active organometallic molecules is
measured by self-assembling diruthenium (III) tetra (2-anilinopyridinate)-di (4 …

Using a first principles approach, we study the electron transport properties of two molecules
of length 2.5 nm, which are the building blocks for a new class of molecular wires containing …

We report on single molecule electron transport measurements of two
oligophenylenevinylene (OPV3) derivatives placed in a nanogap between gold (Au) or lead …

Density functional calculations for the electronic conductance of single molecules are now
common. We examine the methodology from a rigorous point of view, discussing where it …

Modern quantum chemistry calculations are usually implemented for isolated systems—big
molecules or atom clusters; total energy and particle number are fixed. However, in many …