The various properties of the ground and excited electronic states of coumarins 102 using density functional theory (DFT) and time-dependent density functional theory (TDDFT) was calculated by the B3LYP density functional model with 6-31G(d,p) basis set by Gaussian 09 W program. Spectral characteristics of coumarin102 have been probed into by methods of experimental UV-visible, and quantum chemistry. The UV spectrum was measured in methanol. The optimized structures, total energies, electronic states (HOMO- LUMO), energy gap, ionization potentials, electron affinities, chemical potential, global hardness, softness, global electrophilictity, and dipole moment were measured. We find good agreement between experimental data of UV spectrum and

     X-ray phase analysis was used to analyse the composition of Pb₈Na_(2±x)(PO₄)₆ (lead-sodium apatite structure) with different X values (X values refer to changes in the excess or lack of sodium (2±X) in the apatite structure): -0.15, -0.10, -0.05, 0.00, +0.05, +0.10, and +0.15. The ceramic method (solid-state reaction) was used to synthesize all samples at a temperature of 800 °C. Many programs, such as match software (v.3), PDF-4 database (ICCD), and database PDF-4 (ASTM), were used to study the single phases. The least-squares method was used to calculate the unit cell parameters. Results have shown that the following compositions: Pb₈Na₂(PO₄)_6<

This study deals with interpretation of stratigraphic and structural of Afaq structure area central Iraq in Qadisiyah province, about 25 km north of Diwaniyah, by using 2D seismic data. Synthetic traces are prepared by using available data of the well (WK-1)using a petrol software program to define and picking the reflectors on the seismic section. Structure interpretation includes picking a top of Zubair Formation (Late Cretaceous), while stratigraphic interpretation includes two reflectors Yamama and Gotnia Formation (Upper-Late Jurassic). Structure interpretation of Zubair Formation shows that the area a several minors and a short extend of faults, the fault system extends (NE-SW) direction. The structural interpretation of time and d

In the current research, the work concentrated on studying the effect of curvature of solar parabolic trough solar collector on wind loading coefficients and dynamic response of solar collector. The response of collector to the aerodynamic loading was estimated numerically and experimentally. The curvature of most public parabolic trough solar collectors was investigated and compared. The dynamic response of solar collector due to wind loading was investigated by using numerical solution of fluid-structure interaction concept. The experimental work was done to verify the numerical results and shows good agreement with numerical results. The numerical results were obtained by using finite element software package (ANSYS 14). It was found

Density Functional Theory at the generalized-gradient approximation level coupled with large unit cell method is used to simulate the electronic structure of (II-VI) zinc-blende cadmium sulfide nanocrystals that have dimensions 2-2.5 nm. The calculated properties include lattice constant, conduction and valence bands width, energy of the highest occupied orbital, energy of the lowest unoccupied orbital, energy gap, density of states etc. Results show that lattice constant and energy gap converge to definite values. However, highest occupied orbital, lowest unoccupied orbital fluctuates indefinitely depending on the shape of the nanocrystal.

Porous silicon was prepared by using electrochemical etching process. The structure, electrical, and photoelectrical properties had been performed. Scanning Electron Microscope (SEM) observations of porous silicon layers were obtained before and after rapid thermal oxidation process. The rapid thermal oxidation process did not modify the morphology of porous layers. The unique observation was the pore size decreased after oxidation; pore number and shape were conserved. The wall size which separated between pore was increased after oxidation and that effected on charge transport mechanism of PS

In this paper the proton, neutron and matter density distributions and the corresponding root mean square (rms) radii of the ground states and the elastic magnetic electron scattering form factors and the magnetic dipole moments have been calculated for exotic nucleus of potassium isotopes K (A= 42, 43, 45, 47) based on the shell model using effective W0 interaction. The single-particle wave functions of harmonic-oscillator (HO) potential are used with the oscillator parameters b. According to this interaction, the valence nucleons are asummed to move in the d3f7 model space. The elastic magnetic electron scattering of the exotic nuclei 42K (J?T= 2- 2), 43K(J?T=3/2+ 5/2), 45K (J?T= 3/2+ 7/2) and 47K (J?T= 1/2+ 9/2) investigated t