Creating functional electrical circuits using individual or ensemble molecules, often termed
as “molecular-scale electronics”, not only meets the increasing technical demands of the …

Recently, there have been significant advances in the fabrication and demonstration of
individual molecular electronic wires and diode switches. This paper reviews those …

We present two new hybrid meta exchange-correlation functionals, called M06 and M06-2X.
The M06 functional is parametrized including both transition metals and nonmetals, whereas …

We present a new local density functional, called M06-L, for main-group and transition
element thermochemistry, thermochemical kinetics, and noncovalent interactions. The …

We present a new hybrid meta exchange-correlation functional, called M05-2X, for
thermochemistry, thermochemical kinetics, and noncovalent interactions. We also provide a …

Sintering is the process whereby interparticle pores in a granular material are eliminated by
atomic diffusion driven by capillary forces. It is the preferred manufacturing method for …

Since it was first suggested that a single molecule might function as an active electronic
component, a number of techniques have been developed to measure the charge transport …

This is the report of a DOE-sponsored workshop organized to discuss the status of our
understanding of charge-transfer processes on the nanoscale and to identify research and …

Nanotechnology, science, and engineering spearhead the 21st century revolution that is
leading to fundamental breakthroughs in the way materials, devices, and systems are …

This paper describes an experimentally simple system for measuring rates of electron
transport across organic thin films having a range of molecular structures. The system uses a …