We report here on a theoretical model for the electronic structure and transport properties of superlattice nanowires, considering their cylindrical wire boundary and multiple anisotropic carrier pockets. The thermoelectric properties of superlattice nanowires made of various lead salts ~PbS, PbSe, and PbTe! are investigated as a function of the segment length, wire diameter, crystal orientatio...

the n-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. the quantum theoretical calculations for two crystal structures of n-(2-benzoyl-phenyl) oxalyl (compounds i and ii) were performed by density functional theory (b3lyp method and 6-311+g* basis set). from the optimized structures, geometric paramet...

We describe several line search strategies in recent potential reduction algorithms for linear programming. We clarify some concerns about the step size of the original algorithm. In particular, we illustrate that the dual step of the algorithm can be suuciently \long". We also discuss some other implementation issues for the algorithm.

Kinetic measurements in the pH range 7.0 to 9.4 were made by the temperature jump technique, and comparative values of Keg were determined by a spectrophotometric titration method based on absorption difference at 550 rnp between ferriand ferrocytochrome C. Also, stopped flow experiments at 550 rnp were performed at pH 9.5. In all of these experiments, excess sodium ferrocyanide (8 X 10u3 M) wa...