Density Functional Theory (DFT) at the B3LYP/ 6-311G basis set level and
semiemperical methods (PM3, AM1, and MINDO/3) were performed on six new
substituted Schiff bases derivatives of INHC (N-(3-(phenylidene-allylidene)
isonicotinohydrazide) using Gaussian-03 program. The calculated quantum chemical
parameters correlated to the inhibition efficiency were studied and discussed at their
equilibrium geometry and their correct symmetry (Cs). Comparisons of the order of
inhibition efficiency of the Schiff bases derivatives, and local electrophilic and
nucleophilic reactivity have analyzed. Some physical properties also were studied
such as heat of formation, total energy and dipole moment...etc. Also vibration
freq

Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive energy, energy gap, conduction and valence band widths are obtained from the electronic structure calculations. The results are compared with available experimental data and theoretical results of other investigators. The calculated lattice constant is found to be slightly larger than the corresponding experimental value because we use only 8 atoms and we compared the results with that of the bulk crystals, nanoclusters are expected to have str

          In this work, the optical emission characteristics of the ZnO plasma were presented. The plasma parameters: electron temperature (T_e), electron density( n_e), plasma frequency (f_p) and Debye length (λ_D) were  studied with  a spectrometer that collects the spectrum ZnO plasma in air produced by Nd:YAG laser,(λ=1064 nm) at ratio X=0.5 in the range of energy of (700-1000 mJ), duration (10 ns). The Boltzmann plot methodwas employed to calculate the electron temperature (T_e), while the Stark broadening  was used to determine the electron density (n_e), Debye duration (λ_D), and plasma frequency (f_p).  T_e, ne, and f_p

The effect of White Place Image ( Test Image )  A4   has been studied as a function of luminous intensity using the  t tu un ng gs st te en n    l la am mpp and web camera enet. It was found that the tungsten lamp gives almost even intensities for the three color band and  lighting composite at low voltage .while at high voltage causes a fare from each other .  The statistical characteristic(mean and stander deviation ) results for three colors composites RGB and lighting  composites L showed that the mean and stander deviation increases with the increase of voltage possibly owing to the increase image  resolution, which reflects the value of  stander deviation for the blue band

In this paper we introduce and study the concepts of semisimple gamma modules , regular gamma modules and fully idempotent gamma modules as a generalization of semisimple ring. An module is called fully idempotent (semisimple , regular) if for all submodule of (every submodule is a direct summand, for each , there exists and such that . We study some properties and relationships between them.

this work, a simple method was used to prepare the MnO2 nanoparticles. These nanoparticles then were characterized by several techniques, such as X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy (SEM) and atomic force microscope (AFM). The results showed that the diffraction peak of MnO2 nanoparticles was similar to that of standard data. The images of AFM and SEM indicated that the MnO2 nanorods were growing from the MnO2 nano spherical shape. PVA-pentaerythritol/MnO2 nanocomposite films were fabricated by evaporating casting method. The dielectric constant and loss tangent of P-Ery/MnO2 films were measured between 10 kHz and 1 MHz using LCR. As the content of MnO2 increased, the dielectric constant

     The superconductor compound (YBa2Cu2.8Zn0.2O7+δ) is prepared by solid state reaction (SSR), Sol-gel (SG) and laser Pulse deposition (PLD) methods. We used the X-ray diffraction technique, which shows an orthorhombic crystalline system for all the samples, and increase in the high-phase (Y-123) and decrease in low-phase and vary in proportion according to the method of preparation with the emergence of some impurities. The behavior of the samples in terms of electrical resistance and critical temperature was investigated all samples showed superconducting behavior. The properties of the dielectric (real dielectric constant, imaginary dielectric constant, loss tangent, alternating electrical conductivity) were s