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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 Jan 01 2021
Journal Name
Materials Today: Proceedings
Study the electronic and spectroscopic properties of ALxB7-XN7 Wurtzoids as a function of size and concentration using density functional theory
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Publication Date
Thu Apr 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
Theoretical structure of Eco-cities: subject review
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Given the importance of ecology and its entry into various fields in general and the urban environment particularly; ecological cities take wide ranges of application at multiple regional and global levels. However, it repeatedly noted that there was a state of cognitive confusion and overlapping in the term ecology comes from the diversity of implementation within several disciplines. Architects, designers, and planners have instilled biological development directly into the formal principles as well as the social structures of the ecological cities. Therefore, the research presents a rapid review of the most relevant areas that dealt with the ecological cities by research and analysis at various levels, from the concept and definition of

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Publication Date
Tue Feb 05 2019
Journal Name
Journal Of The College Of Education For Women
Women of drama between theoretical and practical
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Greek theatre and roman theatre don’t let for woman with working in the theatre such as writer , directing and acting theatre , so appear term women theatre in past sixty central because the woman feeling with iniquitousness in your life , so this search included several sections that include money parts . Part one is term theatre women. Part two causes show the women theatre. Part three jenouse women in writer, direction, and action in the world. Part four jenouse women in the Arab theatre. Part fife Iraqi woman jenouse in the theatre. Section tow includes analyses for once performance Iraqi theatre that include several women. This performance from editor and direction by kaseem – Muhammad, assistant in the direction montaha – rah

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Publication Date
Thu Apr 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
Theoretical structure of Eco-cities: subject review
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Abstract<p>Given the importance of ecology and its entry into various fields in general and the urban environment particularly; ecological cities take wide ranges of application at multiple regional and global levels. However, it repeatedly noted that there was a state of cognitive confusion and overlapping in the term ecology comes from the diversity of implementation within several disciplines. Architects, designers, and planners have instilled biological development directly into the formal principles as well as the social structures of the ecological cities. Therefore, the research presents a rapid review of the most relevant areas that dealt with the ecological cities by research and analys</p> ... Show More
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Publication Date
Wed Dec 30 2009
Journal Name
Iraqi Journal Of Physics
Synthesis of Nanosilica Glass Activated by Erbium Ions, Spectroscopic studies
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Erbium, as optical probe, doped silicate sol-gel glass with
different Er concentrations was formed by wet chemical synthesis
method using ethanol, water and tetraethaylorthosilicate
[Si(OC2H5)4] precursor. Erbium ions were incorporated into silica
sol-gel matrix via dissolution of Erbium chloride solution into the
initial Si(OC2H5)4 precursor sol. Aluminum (Al) as a co-dopant was
added to the final precursor in the form of Aluminum chloride
(AlCl3) solution. The prepared samples were analyzed using atomic
absorption analysis, X-ray diffraction and spectroscopic tests. The
experimental results concerned with the transmission spectra suggest
that the final samples have a good transparency and homogeneity.
A

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Publication Date
Thu Mar 01 2018
Journal Name
International Journal Of Science And Nature
EXPERIMENTAL AND THEORETICAL STUDY OF 3-BENZYL -2- MERCAPTOQUINOIZOLINE-4(3H)-ONE (BMQ) AS AN INHIBITOR OF CARBON STEEL CORROSION IN ACIDIC MEDIA
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The inhibition of 3-Benzyl -2-mercaptoquinoizoline -4 (3H)-one (BMQ) on the corrosion of carbon steel in 0.5 M HCl studied by potentionstat polarization methods at 303–333 K. Results obtained show that BMQ act as inhibitor for carbon steel in HCl solution. The inhibition efficiency increase with increase in BMQ concentration. Activation parameters and Gibbs free energy for the adsorption process using Statistical Physics calculated and discussed. Quantum chemical calculations using DFT at the B3LYP/6-31G level of theory were used to calculate some electronic properties of the molecule to verify any correlation between the inhibitive effect and molecular structure of BMQ. The quantum calculations were proceeded to get data around correlati

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Publication Date
Thu Sep 03 2020
Journal Name
Journal Of Public Affairs
Ethnographic research method for psychological and medical studies in light of COVID ‐19 pandemic outbreak: Theoretical approach
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Ethnographic research is perhaps the most common applicable type of qualitative research method in psychology and medicine. In ethnography studies, the researcher immerses himself in the environment of participants to understand the cultures, challenges, motivations, and topics that arise between them by investigating the environment directly. This type of research method can last for a few days to a few years because it involves in-depth monitoring and data collection based on these foundations. For this reason, the findings of the current study stimuli the researchers in psychology and medicine to conduct studies by applying ethnographic research method to investigate the common cultural patterns language, thinking, beliefs, and behavior

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Publication Date
Sun Mar 01 2020
Journal Name
International Journal Of Pharmaceutical Research
Eco-friendly and Efficient Composition, Diagnosis Theoretical, kinetic studies, Antibacterial and Anticancer Activities of Mixed Some Metal Complexes of Tridentate Schiff base Ligand
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Abstract: Mixed ligand Mn(II), Co(II), Ni(II), Cu (II), Zn(II), and Cd(II) complexes with (TMAP) Schiff base ligand and (8HQ) have been composition and analyzed. Diagnosis by, melting point, solubility, Electronic, mass and IR-spectroscopic studies, conductivity elemental, thermoanalytical analysis displayed the forming of mononuclear complexes. Spectral studies results suggest an octahedral system or the metal (II) mixed complexes. The detainments of molar conductance of the mixed complexes in DMF coincide to electrolytic nature of the mixed complexes, consequently, these complexes could be subedited as [M(TMAP)(8Q)(H2O)]nX.yH2O (M=Co(II) and Cu(II) complexes(where n = 1, y = 0 ); [M(TMAP)(8Q)(H2O)]nX.yH2O (M = (where n = 1, y = 1 for Ni(

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Publication Date
Fri Jan 01 2021
Journal Name
International Journal Of Pharmaceutical Research
Eco-friendly and Efficient Composition, Diagnosis Theoretical, kinetic studies, Antibacterial and Anticancer Activities of Mixed Some Metal Complexes of Tridentate Schiff base Ligand
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Publication Date
Thu Jul 27 2023
Journal Name
Journal Of Optics
Spectroscopic analysis of zinc plasma produced by alternating and direct current jet
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In this study, a system of nonthermal plasma that was operated under atmospheric pressure and was powered by argon gas was employed. The particular plasma properties are affected by changes in the Ar gas flow ranges from 0.5 to 2.5 l/min, product by stream of the plasma jet that is utilized. By using the aforementioned method generated from AC and DC. After placing Ar gas as the cathode, which represents the negative pole, flows toward the anode, which is represented by a tiny metal plate of Zn measuring 6 × 1 cm2 in size, with a submerged part of 4 cm2 long, with both types of current employed having a high voltage of 13.5 kV and the frequency of AC was 30 kHz, we measured these variable parameters. It has been shown that when argon f

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