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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
Sun Jun 03 2018
Journal Name
Baghdad Science Journal
Synthesis, Spectroscopic Characterization of Cobalt ComplexfromC16H19N3O3S and photodegradation using prepared Nano TiO2catalyst
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Coblatcomplex has been prepared by reaction between C16H19N3O3S (L) as ligand and metal salt (II). The prepared complex were characterized by infrared spectra, electromic spectra, magnetic susceptibility, molar conductivity measurement and metal analysis by atomic absorption and (C.H.N) analysis. From these studies tetrahedral geometry structure for the complex was suggested. The photodegredation of complex were study using photoreaction cell and preparednanoTiO2 catalyst in different conditions (concentration, temperatures, pH).The results show that the recation is of a first order with activation energy equal to (6.6512 kJ /mol).

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Publication Date
Thu Mar 01 2012
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
The Impact of Islamic Financial Inspection Thought on the Development of Inspection and comparing it with Positive Thought: Theoretical Comparative Study
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You Mohammed, you're prophet of God and I'm Gabriel)). With this heavenly call which Mohammed, the messenger of God (may God's mercies be on him), got and when he left Hiraa cave and after getting the aye ((read with your God's name)), a new period of mankind's history started. From that time, the greatest state was established. There was no public treasury and no public financial resources at that time. Abu Baker (God bless him) spent a lot of money to support the costs of the new mission. After Al-Hijra, the bases of establishing the Islamic state were available but it lacked administrative and financial organizing. Therefore the prophet was very keen to find Islamic system which ensures justice and availability of

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Publication Date
Sun Jan 01 2023
Journal Name
Journal Of Molecular Liquids
Theoretical modeling study on preparation of nanosized drugs using supercritical-based processing: Determination of solubility of Chlorothiazide in supercritical carbon dioxide
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Publication Date
Sun Dec 01 2013
Journal Name
Baghdad Science Journal
Theoretical Study of Charge Transfer in Styryl Thiazilo Quinoxaline Dyes STQ-1, STQ-2,and STQ-3 in Organic Media System
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Charge transfer in styryl dyes STQ-1, STQ-2,and STQ-3 with organic media system has been studied theoretically depending on the Franck- Condon rule and continuum dielectric model . The reorientation energies (eV) were evaluated theoretically depending on dipole momentum, dielectric constant , and refrective index n. The rate constant of charge transfer has been calculated depending on the reorientation energy (eV) ,effective free energy , potential height barrier , and coupling coefficient . A matlap program has been written to calculated the rate constant of charge transfer and other parameter. The results of calculations show that STQ-2 dye is more reaction for charge transfer compare with STQ-1 and STQ-3 dyes

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Publication Date
Sat Apr 01 2017
Journal Name
Desalination
Heat transfer coefficients and yield analysis of a double-slope solar still hybrid with rubber scrapers: An experimental and theoretical study
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Publication Date
Sun May 07 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Calculation of Reorientation Energy in Metal /Semiconductor Interface
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A theoretical calculation of the reorientation energy for non adiabatic electron transfer at
interface between metal and semiconductor system was carried out. The continuum outer
sphere theory of electron transfer reaction has been extensively used for electron transfer
between metal/semiconductor interface .It is found that in these calculations the reorientation
energy is proportional to the optical and statistical dielectric constant of semiconductor ,
properties of metal ,and the distance between metal and semiconductor .Results of
reorientation energy show that ZnO semiconductor with metal Au possess a good matching as
compared with ZnS and ZnSe . Theoretical calculation showed a good agreement with
ex

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Publication Date
Sun Feb 03 2019
Journal Name
Journal Of The College Of Education For Women
The Theoretical bases of women's rights in Islamic shariate
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The Theoretical bases of women's rights in Islamic shariate

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Publication Date
Wed Jun 29 2016
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
Study the Activity of some plant resources as natural antioxidant: Study the Activity of some plant resources as natural antioxidant
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This study was done to test the activity of some plant extracts as antioxidant agents. The plants were (Morus rubra, Hibiscus sabdariffa L ., Rhus coriaria L., Anethum graveolens and Petroselinum sativum).
Ethanolic 98% (24 hours/ 25˚c) and distilled water (30 minutes/ 25˚c have been used for extraction.The Total phenols, total flavonoids, total anthocyanin, antioxidant activities were studied.
The extract of Morus rubra was chosen because it has a higher antioxidant activity.
The phenolic extract of Morus rubra was prepare and examined by application it in burger . The antioxidant activity test of Morus rubra was made before and after 3,6 days of cold storage. The sensory evaluation of all treatments were done within 5,1

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Publication Date
Tue Jun 01 2021
Journal Name
Iraqi Journal Of Physics
Study of the Static and Dynamic Nuclear Properties and Form Factors for Some Magnesium Isotopes 29-34 Mg
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Nuclear structure of 29-34Mg isotopes toward neutron dripline have been investigated using shell model with Skyrme-Hartree–Fock calculations. In particular nuclear densities for proton, neutron, mass and charge densities with their corresponding rms radii, neutron skin thicknesses and inelastic electron scattering form factors are calculated for positive low-lying states. The deduced results are discussed for the transverse form factor and compared with the available experimental data. It has been confirmed that the combining shell model with Hartree-Fock mean field method with Skyrme interaction can accommodate very well the nuclear excitation properties and can reach a highly descriptive and predictive power when investiga

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Publication Date
Wed May 01 2019
Journal Name
Journal Of Engineering
Theoretical Analysis of Seepage through Homogeneous and Non-homogeneous Saturated-Unsaturated Soil
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In this research, the program SEEP / W was used to compute the value of seepage through the homogenous and non-homogeneous earth dam with known dimensions. The results show that the relationship between the seepage and water height in upstream of the dam to its length for saturated soil was nonlinear when the dam is homogenous. For the non-homogeneous dam, the relationship was linear and the amount of seepage increase with the height of water in upstream to its length. Also the quantity of seepage was calculated using the method of (Fredlund and Xing, 1994) and (Van Genuchten, 1980) when the soil is saturated – unsaturated, the results referred to that the higher value of seepage when the soil is saturated and the lowe

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