phospholipids are important for the biological lipid and are commonly used in biophysical studies.a quantumcalculation for two phospholipids dipalmitoylphosphatidylethanolamine and dipalmitoylphosphatidic acidwere performed using the abinitio software. geometry optimization structures were obtained at rhf level using3-21g, 6-31g*. these basis sets were used to understanding the effects of envir...

NBO analysis, hybrid density functional theory (B3LYP/6-311+G**) and ab initio molecular orbital (HF/6-311+G**) based methods were used to study the anomeric effects (AE), electrostatic interactions, dipole-dipole interactions and steric repulsion effects on the conformational properties of 2-methoxy- (1), 2-methylthio- (2), 2-methylseleno- (3), 2-fluoro- (4), 2-chloro- (5) and 2-bromocyclohexa...

Nanoparticles often self-assemble into hexagonal-close-packed (hcp) structures although it is predicted to be less stable than face-centered-cubic (fcc) packing in hard-sphere models. In addition to close-packed fcc and hcp superlattices, we observe formation of nonclose-packed simple-hexagonal (sh) superlattices of nearly spherical PbS, PbSe, and gamma-Fe2O3 nanocrystals. This surprisingly ric...

In this paper, circular and hexagonal array geometries for smart antenna applications are compared. Uniform circular (UCA) and hexagonal arrays (UHA) with 18 half-wave dipole elements are examined; also planar (2 concentric rings of radiators) uniform circular (PUCA) and hexagonal arrays (PUHA) are considered. The effect of rotating the outer ring of the PUCA is studied. In our analysis, the me...

A small dielectric sphere is buried within the lower half of a two half-space medium and illuminated from the upper one by a dipole array. The Multi-Static Response Matrix is computed either by the Coupled Dipole Method or by an asymptotic formulation taking into account the coupling between the sphere and the interface. Comparisons between field data and between images of the inclusion are dis...

This paper describes the characteristics of a software developed on MatLab Scripts to obtain the radiation patterns of linear antenna arrays using dipoles as the elements. The software includes, among several other options: the analysis and design of arrays with progressive phase, arrays with non uniform amplitude excitation and arrays with non uniform separation. Some special attributes of the...