This paper describes research on a novel design and simulation tool for quantum-dot cellular automata (QCA), which we refer to as QCADesigner. A typical design window is shown in Figure 1. QCADesigner facilitates rapid design of QCA circuits by implementing different simulation engines and many standard CAD capabilities [1][2]. The results of a simulation are displayed in graphs such as the one...

The long sought hexamethylhydrazinium(2+) dication, Me(3)N-NMe(3)(2+), calculationally unstable towards "coulombic explosion" because of formal positive charges on adjacent N atoms, can be synthesized and isolated as a CHB(11)Cl(11)(-) carborane salt.

Distinguished selfadjoint extension of Dirac operators are constructed for a class of potentials including Coulombic ones up to the critical case, −|x|. The method uses Hardy-Dirac inequalities and quadratic form techniques.

We evaluate the feasibility of manipulating droplets in two dimensions by exploiting Coulombic forces acting on conductive droplets immersed in a dielectric fluid. When a droplet suspended in an immiscible fluid is located near an electrode under a dc voltage, the droplet can be charged by direct contact, by charge transfer along an electrically conducting path, or by both mechanisms. This proc...

The synthesis of a GSK 2(nd) generation inhibitor of the hepatitis C virus, by enantioselective 1,3-dipolar cycloaddition between a leucine derived iminoester and tert-butyl acrylate, was studied. The comparison between silver(I) and gold(I) catalysts in this reaction was established by working with chiral phosphoramidites or with chiral BINAP. The best reaction conditions were used for the tot...

A new approach is present for concentration effects on ionic reactions in solutions of small electrolyte concentrations. It is assumed that the mutual Coulomb interaction is felt by an ion pair only when their separation is smalller than the “Coulombic horizon”, R.,, namely when there is no intervening ion. This leads to an approximate but simple and parameterless, formula for activity coefftci...

The host-guest interaction between orthophosphate, pyrophosphate and triphosphate anions and three cyclen-based macrotricyclic ligands was investigated by potentiometric measurements and NMR spectroscopy. The ligands differ from one another by the nature of their spacers, which are 1,3-dimethylbenzene (TMC), 2,6-dimethylpyridine (TPyC) or a combination of the two (TMPyC). In aqueous solution, e...

Relaxing the assumption of an “infinite and homogenous background,” the dielectric response function of one-dimensional semiconducting nanowires embedded in a dielectric environment is calculated. It is shown that a high-κ (higher than semiconductor dielectric constant) dielectric environment reduces the screening by the free carriers inside the nanostructure, whereas a low dielectric constant ...

similar procedure and the same type of interaction model were used for glucose solutions. Specifically, MD simulation was carried out using the DL_POLY2.0 package. The MD trajectories were generated using the SPC/E potential model for water and the optimized potential for liquid simulation (OPLS) all-atom force field for carbohydrates, developed by Jorgensen and co-workers, for both trehalose a...

We report the results from a study of the full sample of ∼ 6.031 × 10 K → πππ decays recorded by the NA48/2 experiment at the CERN SPS. As first observed in this experiment, the ππ invariant mass (M00) distribution shows a cusp-like anomaly in the region around M00 = 2m+, where m+ is the charged pion mass. This anomaly has been interpreted as an effect due mainly to the final state charge excha...