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jih-1450
Theoretical Spectroscopic Study for Some Diatomic Molecules
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      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).

 

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Publication Date
Fri Nov 29 2019
Journal Name
Iraqi Journal Of Physics
CDD Study of Charge Density Distributions and Elastic Electron Scattering Cross Sections for some Stable Nuclei: Charge Density Distributions
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paper

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Publication Date
Sat Jan 30 2021
Journal Name
Iraqi Journal Of Science
Study of the Nuclear Structure for Some Target Nuclei Used in the Production of Beta-Emitting Radioactive Isotopes for the Fabrication of Nuclear Batteries
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The nuclear structure of  40Ar, 112Cd, 133Cs, 151Eu, 154Sm, and 226Ra target nuclei used in nuclear battery technology was investigated. These nuclei are widely used for the radioisotope thermo-electric generator space studies and for betavoltaic battery microelectronic systems. For this purpose, some nuclear static properties were calculated. In particular, the single particle radial nuclear density distribution, the corresponding root mean square radii, neutron skin thicknesses, and binding energies were calculated within the framework of Hartree-Fock approximation with Skyrme interaction. The bremsstrahlung spectra produced by the absorption of beta particles throu

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Publication Date
Sun Dec 04 2016
Journal Name
Baghdad Science Journal
Transition Metal Complexes with Tridentate Ligand: Preparation, Spectroscopic Characterization, Thermal Analysis and Structural Studies
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New series of metal ions complexes have been prepared from the new ligand 1,5- Dimethyl-4- (5-oxohexan-2- ylideneamino) -2-phenyl- 1H-pyrazol-3 (2H)-one derived from 2,5-hexandione and 4-aminophenazone. Then, its V(IV), Ni(II), Cu(II), Pd(II), Re(V) and Pt(IV) complexes prepared. The compounds have been characterized by FT-IR, UV-Vis, mass and 1H and 13C-NMR spectra, TGA curve, magnetic moment, elemental microanalyses (C.H.N.O.), chloride containing, Atomic absorption and molar conductance. Hyper Chem-8 program has been used to predict structural geometries of compounds in gas phase, the heat of formation, (binding, total and electronic energy) and dipole moment at 298 K.

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Publication Date
Sun Oct 01 2017
Journal Name
International Journal Of Science And Research
Synthesis, Spectroscopic Studies and Biologically Active of Uracil and Mixed Ligand with Aluminum (III)
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New complexes of Al(III) such as [Al (Ura) (Phen) (OH2) Cl ] Cl. 2H2O, [Al(Ura)2(OA)(OH2)Cl].H2O and [Al(Ura)3Cl3]H2O type, where (Ura)=Uracil, (Phen)= 1,10-Phenanthroline monohydrate and (OA)= Oxalic acid dihydrate, were prepared. The elemental microanalysis, FT.IR, electronic spectra, and magnetic susceptibility as well as the conductivity measurements are characterized. For isolated three complexes for six coordinated of Al(III) are proposed with molecular formulas that depend on the nature of (Ura), (Phen) and (OA) present. The suggested molecular structure into all complexes for aluminum ion is octahedral geometries .The antibacterial efficacy was examined from metal salt (AlCl3), ligands and metal complexes into the pathogenic bacteri

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Publication Date
Wed Aug 16 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Spectroscopic Studies of a New Mixed Ligand Complex of Fe(III) in Aqueous Medium
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A spectrophotometric study of Fe(III) mixed ligand complex has been

performed  involving  1,4 phenylenediamine  (A) and  anthran i lic acid (B) ligand  at 25°C  and  aconstant  ionic strength  of  µ= 0.05M  NaC I04•  The optimum  pH was  found  to be pH=4.l. The format ion  rat io of the new complex   is   determined   to   be   2:1:4  of   Fe(III):(A):(B).   The   molar absorptivity was determined to be :::::: 0.5 x  I 04•  Stepwise spectrum change of the complex formation  is recorded by continuous flow system. Keywords: Mixed ligand

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Publication Date
Tue Dec 11 2018
Journal Name
Iraqi Journal Of Physics
Spectroscopic and structural studies of cadmium oxide thin films prepared by D.C magnetron sputtering
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Cadmium oxide thin films were prepared by D.C magnetron plasma sputtering using different voltages (700, 800, 900, 1000, 1100 and 1200) Volt. The Cadmium oxide structural properties using XRD analysis for just a voltage of 1200 volt at room temperature after annealing in different temperatures (523 and 623) K were studied .The results show that the films prepared at room temperature have some peaks belong to cadmium element along the directions (002), (100), (102) and (103) while the other peaks along the directions of (111), (200) and (222) belong to cadmium oxide. Annealed samples display only cadmium oxide peaks. Also, the spectroscopic properties of plasma diagnostic for CdO thin films were determined and the results show that the el

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Publication Date
Mon Apr 02 2018
Journal Name
University Of Baghdad, College Of Education For Pure Sciences / Ibn Al-haitham, Department Of Mathematics
A Study of Some Generalizations of Fibrewise Bitopological Spaces
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In this research, we introduce and study the concept of fibrewise bitopological spaces. We generalize some fundamental results from fibrewise topology into fibrewise bitopological space. We also introduce the concepts of fibrewise closed bitopological spaces,(resp., open, locally sliceable and locally sectionable). We state and prove several propositions concerning with these concepts. On the other hand, we extend separation axioms of ordinary bitopology into fibrewise setting. The separation axioms we extend are called fibrewise pairwise T_0 spaces, fibrewise pairwise T_1 spaces, fibrewise pairwise R_0 spaces, fibrewise pairwise Hausdorff spaces, fibrewise pairwise functionally Hausdorff spaces, fibrewise pairwise regular spaces, fibrewise

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Publication Date
Fri Dec 29 2023
Journal Name
Studia Chemia
THERMODYNAMIC STUDY OF SOME ALCOHOLS IN DILUTE AQUEOUS SOLUTION
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Publication Date
Wed Apr 20 2022
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study of Fuzzy σ-Ring  and Some Related Concepts
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This paper introduces the concept of fuzzy σ-ring as a generalization of fuzzy σ-algebra and basic properties; examples of this concept have been given.  As the first result, it has been proved that every  σ-algebra over a fuzzy set x*  is a  fuzzy σ-ring-over a fuzzy set x*  and construct their converse by example. Furthermore, the fuzzy ring  concept has been studied to generalize fuzzy algebra and its relation. Investigating  that the concept of fuzzy  σ-Ring is a stronger form of a fuzzy ring  that is every fuzzy σ-Ring over a fuzzy set x* is a fuzzy ring over a fuzzy set x* and construct their converse by example. In addition, the idea of the smallest, as an important property in the study of real analysis, is studied

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Publication Date
Tue May 30 2023
Journal Name
Iraqi Journal Of Science
Spectroscopic Diagnosis of Cobalt Plasma Produced by OES Technique and Influence of Applied Voltage on Plasma Parameters
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     In this work, plasma system that operates at vacuum was designed and built using a sheet of cobalt metal for the purpose of diagnosing plasma and measuring its parameters, as it is very important to know the processes that accompany plasma generation and are closely related to them, including the electron density in the plasma and its temperature. The spectroscopic diagnosis was done by optical emission spectroscopy (OES) which relies on the calculation of the optical radiation emitted by the plasma to describe plasma parameters in the chemical, molecular, and ionic radiator's near environment, and applied to cobalt metal at vacuum D.C high voltage power supply. The results showed the rise of spectral lines intensity with increa

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