Preferred Language
Articles
/
jih-1450
Theoretical Spectroscopic Study for Some Diatomic Molecules
...Show More Authors

      In this work, four electronic states ( ,   , and   ) of some diatomic molecules (InF and InCl) was studied by TD-DFT with energy represented by the exchange-correlation energy. The SAOP/ATZP model was applied here to determine all parameters (re, Be, De, , , Te , and were determined to creation reliable values for electron spectroscopy. Also, another set of this calculation has been used represented by two theoretical models: ATZP and et-QZ3P-xD model. Therefore these theoretical models for (   and   , and   ) of the molecules have been compared with many values, theoretical and experimental values,  and appear convergence in values with simple error %. Our results showed that the TD-DFT with basis set in the present work is important for the estimation of spectroscopic parameters and constants for our molecules and the ATZP model is very close to et-QZ3P-xD model in all electronic states for InF and InCl molecules except some of the constants such as (Be).

 

View Publication Preview PDF
Quick Preview PDF
Publication Date
Sun Oct 21 2018
Journal Name
Iraqi Journal Of Physics
Spectroscopic study the plasma parameters for Pb doped CuO prepared by pulse Nd:YAG laser deposition
...Show More Authors

In this work, plasma parameters such as, the electron temperature )Te(, electron density ne, plasma frequency )fp(, Debye length )λD(
and Debye number )ND), have been studied using optical emission spectroscopy technique. The spectrum of plasma with different values of energy, Pb doped CuO at different percentage (X=0.6, 0.7, 0.8) were recorded. The spectroscopic study for these mixing under vacuum with pressure down to P=2.5×10-2 mbar. The results of electron temperature for X=0.6 range (1.072-1.166) eV, for X=0.7 the Te range (1.024-0.855) eV and X=0.8 the Te is (1.033-0.921) eV. Optical properties of CuO:Pb thin films were determined through the optical transmission method using ultraviolet visible spectrophotometer within the ra

... Show More
View Publication Preview PDF
Crossref (6)
Crossref
Publication Date
Sat Aug 31 2019
Journal Name
Iraqi Journal Of Physics
Spectroscopic study the plasma parameters for SnO2 doped ZnO prepared by pulse Nd:YAG laser deposition
...Show More Authors

 In this work, plasma parameters such as (electron temperature (Te), electron density (ne), plasma frequency (fp) and Debye length (λD)) were studied using spectral analysis techniques. The spectrum of the plasma was recorded with different energy values, SnO2 and ZnO anesthetized at a different ratio (X = 0.2, 0.4 and 0.6) were recorded. Spectral study of this mixing in the air. The results showed electron density and electron temperature increase in zinc oxide: tin oxide alloy targets. It was located  that  The intensity of the lines increases in different laser peak powers when the laser peak power increases and then decreases when the force continues to increase.

View Publication Preview PDF
Crossref (7)
Crossref
Publication Date
Mon Apr 24 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Study for the Electron Drift Velocity in Sf6 Gas and Its Mixture with Nitrogen
...Show More Authors

 Calculations and predication a theoretical formulas for the electron drift velocity in a gas medium are achieved to deduced the electron distribution function for different gas concentrations. The calculations are achieved by using the numerical solution for  Boltzmann transport equation in two term approximation, using the NOMAD  program for the drift velocity in a gas medium. It's necessary to note that the solution is essentially depending upon the elastic and inelastic collision cross section. In order to fixe a good accuracy for the using cross section it's necessary to calculate the electron distribution function and therefore study their behavior. Results about the electron drift velocity show that a decreasing pro

... Show More
View Publication Preview PDF
Publication Date
Mon Oct 01 2007
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Possible association between class- HLA molecules & idiopathic nephrotic syndrome
...Show More Authors

Background: Nephrotic Syndrome (NS) is a clinical entity having multiple causes, characterized by increased glomeular permeability manifested by massive protein urea with variable Tendency towards edema, hypaalbumineima and hyperlipidemia.

View Publication Preview PDF
Publication Date
Fri Apr 21 2023
Journal Name
Chemical Methodologies
Spectroscopic and Antimicrobial Studies of Some Metal Complexes of Furfural Schiff Base Derivative Ligand
...Show More Authors

A new furfural Schiff base derivative ligand (L-FSB) named N-(4- Bromo-2-methylphenyl)-1-(furan-2-yl)methanimine, was synthesized from the condensation reaction of furfural (fur) with 4-Bromo-2- methylaniline (bma) in 1:1molar ratio. A new series of VO(II), Cr(III), Mn(II), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) metal complexes are synthesized according to the metal content analysis in an 2:1 ligand:metal ratio. The stereochemistry of the ligand complexes have been deduced by Fourier Transform-Infra Red (FT-IR), Atomic Adsorption (A.A), Ultra violate-Visible Spectra (UV-Vis Spectra), (Mass Spectra, Proton,13Carbon-Nuclear Magnetic Resonance) (1H-NMR,13CNMR) for ligand), magnetic susceptibility at 25oC and conductivity measurements. Fr

... Show More
Publication Date
Sun Jul 01 2018
Journal Name
Vacuum
Stability, electronic and vibrational properties of GaAlN wurtzoid molecules and nanocrystals: A DFT study
...Show More Authors

View Publication
Scopus (7)
Crossref (6)
Scopus Clarivate Crossref
Publication Date
Sun Feb 17 2019
Journal Name
Iraqi Journal Of Physics
A study of the solvent effect on the low temperature spectra of benzoanthracene molecules
...Show More Authors

been taken at room temperature down to liquid nitrogen temperature (77K). Polar and nonpolar solvents have been used to study the solvent effect on the absorption and fluorescence spectra of solute molecules. Some of the spectroscopic parameters have been determined as functions of solvent polarity and temperature. The results indicate that the band width FWHM increases with increasing the solvent polarity and temperature, while the peak emission cross section decreases with increasing of solvent polarity and decreases with increasing the temperatures. Clear vibrational structure spectra of benzoanthracene molecules have been observed in Nonane and Hexane solvents at 77K.

View Publication Preview PDF
Crossref
Publication Date
Wed Mar 20 2019
Journal Name
Journal Of The College Of Languages (jcl)
Culture and Western Hegemony: Postcolonial Theoretical Study
...Show More Authors

Postcolonial theory deals with the effects of colonization on the colonized societies and their cultures. It examines the complex relationship between the colonized and the colonizer, and it represents the textual reactions that deal directly with such an issue. It is also a literary critique to texts that carry racist or colonial implications. The emergence of postcolonial theory as an aspect of literary criticism represents a shift in the focus of studies regarding the relation between the western and non-western worlds.

In contemporary theoretical discourse, Edward Said has been among the more influential postcolonial critics to draw attention to the centrality of imperialism in Western culture. Said’s work has provided a th

... Show More
View Publication Preview PDF
Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Synthesis, Spectral Study and Theoretical Treatment of Some Mixing Ligand Complexes of Quinaldic Acid and 1, 10-Phenathroline
...Show More Authors

Metal complexes of Cu (II), Fe (III) and Mn (II) with Quinaldic acid (L1) and 1, 10-Phenathroline (L2) are synthesized and characterized by standaral physic- chemical procedures (element analysis, metal analysis, FTIR, Uv-Vis, magnetic moment and conductometeric measurements). On the base of these studies, mononuclear and six coordinated octahedral geometry and nonelectrolyte of these complexes have been proposed. The standard heat of formation (?Hºf) and binding energy (?Eb) for the free ligands and their complexes are calculated by using the PM3 method at 273K of Hyperchem.-8 program. The complexes are more stable than their ligands. Moreover, the electrostatic potential of free ligands are measured to investigate the reactive site of th

... Show More
View Publication Preview PDF
Crossref (2)
Crossref
Publication Date
Sat Nov 30 2019
Journal Name
Journal Of Engineering And Applied Sciences
Theoretical Estimation of Charge Transfer Rate at Some Nitrosyl Complexes
...Show More Authors

The charge transfer at C23H17F8N8O2PRu, C44H30BF4N5O4Ru, C56H52CL5N5OOsP2 and C76H88F80N24O11P10Ru4 nitrosyl complexes are investigation and studies theoretically using the quantum consideration. Charge transfer behavior largely rely to the electric properties of nitrosyl complexes system whose depending on the main important parameters for the transmission rate constant such that: orientation transition energy, overlapping coupling coefficient, driving force energy, height barrier and Temperature T (K). Data results have been evaluated using a MATLAB program. Results show that rate of charge transfer increases due to increases the orientation transition energy.

View Publication Preview PDF
Scopus Crossref