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Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C24, C24O5and the interaction of C24O5with NO2gas molecule. It shows the energy gap of coronene C243.5 eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C24Oxwhere x = 1–7 was from 0.89 eV to 1.6862 eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1 eV and 2.2 eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO2longitudinal optical (LO) modes of 1 585, 1 582 and 1 600 cm−1, respectively. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25°C and 100°C were calculated. The activation energy of C24O5with nitrogen dioxide decreases with increasing temperature.

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Publication Date
Mon Apr 01 2024
Journal Name
Indonesian Journal Of Chemistry
Synthesis, Structure and Biological Activity Studies of New Metal Ion Complexes Based on 3-[(3-Hydroxynaphthalene-2-yl-ethylidene)-hydrazono]-1,3-dihydro-indol-2-one
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In the present study, a novel ligand (L) made of 2-hydroxynaphthaldehyde and 3-hydrazone-1,3-dihydro-indole-2-one(3-[(3-hydroxynaphthalen-2-yl-ethylidene)-hydrazono]-1,3-dihydro-indol-2-one). The ligand was characterized by FTIR, UV-vis, mass, 1H-NMR, 13C-NMR, and CHN elemental analysis. New complexes of this ligand were created by treating methanol and a drop of DMF solution of the produced ligand with the hydrated metal salts of Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) in a molar ratio of 2:1 (L:M). As a result, complexes have been emerged and identified FTIR, UV-vis, C.H.N., chloride-containing, molar conductance, magnetic susceptibility, and atomic absorption. The characterization result for each complex indicated complexes wi

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Publication Date
Sat Jan 01 2011
Journal Name
Al-mustansiriyah J. Sci
Some Properties of 2-Coprobabilistic Normed Space
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The primary purpose of this paper is to introduce the, 2- coprobabilistic normed space, coprobabilistic dual space of 2- coprobabilistic normed space and give some facts that are related of them

Publication Date
Wed Mar 15 2023
Journal Name
Journal Of Baghdad College Of Dentistry
Different methods of canine retraction- Part 2
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Background: This review aims to discuss various canine retraction techniques using frictionless mechanics. Methods: Between 1930 and February 2022, searches were conducted about various canine retraction techniques using fixed orthodontic appliances in various databases, including PubMed Central, Science Direct, Wiley Online Library, the Cochrane Library, Textbooks, Google Scholar, Research Gate, and manual searching. Results: After removing the duplicate articles, publications that described how to use archwires to perform canine retraction with the archwires were included. Conclusions: The pros and cons of various canine retraction techniques using archwires were thoroughly discussed. T-loop is the preferred spring of all because of it

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Publication Date
Tue Mar 14 2023
Journal Name
Iraqi Journal Of Science
Synthesis of new quinoline -2-one derivatives
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Series of new derivatives of quinoline-2-one were synthesized ,m-cresol was chosen as the starting material which was reacted with ethyl acetoacetate in presence of conc.sulphuric acid to give 4,7-dimethyl coumarin (I) which treated with nitric acid in the presence of sulpharic acid afforded 4,7-dimethyl-6-nitrocumarin (II) and 4,7-dimethyl-8-nitrocumarin (III) and then the compound (II) was treated with hydrazine hydrate80% to give a new compound 1-amino-4,7-dimethyl-6-nitroquinoline-2(1H)-one (IV).The latter compound was used to synthesize different
compounds via the reaction with aldehydic azo compounds (V-VII) by Schiff base reaction to prouduce compounds(VIII-X), these azo compounds were prepared by reaction of different aromatic

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Publication Date
Thu Jul 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Cr (III), Fe (III), Co (II) and Cu(II)Metal ions complexes with azo compound derived from 2-hydroxy quinolin synthesis, characterization, thermal study and antioxidant activity
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Azo-ligand-(HL)([4-((2-hydroxyquinolin-3-yl)diazenyl)-N-(5-methylisoxazol-3-yl)benzenesulfonamide] ) ,  (2- hydroxy quinolin  derivative),reacts with the next metal ions (Cr (III), Fe (III),Co (II) and Cu(II))  forming stable complexes with unique geometries such as(tetrahedral for bothCo (II) and  Cu (II), octahedral for both Cr (III) and Fe (III)). The creation of such complexes was detected by employing spectroscopic means involving ultraviolet-visible which proved the obtained geometries, Fourier transfer proved the involvement of coordinated water molecule in all complexes besides the pyrolysis (TGA & DSC) studies proved the coordination of water residues with metal ions inside the coordination sphere as well as chlorine ato

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Publication Date
Tue Jan 09 2018
Journal Name
International Journal Of Medical Research & Health Sciences
Assessing the Period between Diagnosis of Breast Cancer and Surgical Treatment among Mastectomized Female Patients in Iraq
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Introduction: Breast cancer is the most common cancer and the major cause of cancer related deaths among Iraqi women. Due to the relatively late detection of breast cancer, the majority of the patients are still treated by modified radicle mastectomy. Aim: To assess the time lag between diagnosis of breast cancer and mastectomy among Iraqi patients; correlating the findings with other clinicopathological characteristics of the disease. Patients and methods: This retrospective study enrolled 226 Iraqi female patients who were diagnosed with breast cancer. Data were registered on the exact time period between signing the histopathological report and the surgical treatment. Other recorded variables included the age of the patients, their level

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Publication Date
Mon Oct 25 2021
Journal Name
Iraqi Journal Of Science
The Relationship between Natural Radioactivity of Al-Rohban Soil in Al-Najaf Governorate and Its Microbial Content
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    The present study was designed to explore the relationship between radioactivity at Al-Rohban soil in Al-Najaf Governorate, located 30 km away from Najaf city center, and its microbial content. The radiological survey was conducted by γ–ray spectrometry, using purity Germanium (HPGe) detector. A selected surface soil layer (10 cm depth, 50 and 100 m expansion) was tested. The physical analyses were conducted in the Ministry of Environment, Center for Prevention of Radiation. The results showed that the estimated concentrations of Bi-214, Ra-226, Ac-228, Th-232, K-40 and Cs-137 were 47.93, 81.87, 5.03, 1.63, 126.3 and 3.5 Bq/Kg, respectively. Isotopes average concentrations were equivalent to the low

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Publication Date
Thu Jun 01 2017
Journal Name
American Journal Of Pharmaceutical Education
Exploring Electronic Communication Modes Between Iraqi Faculty and Students of Pharmacy Schools Using the Technology Acceptance Model
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Publication Date
Fri Dec 01 2017
Journal Name
Journal Of Economics And Administrative Sciences
A Comparison between Methods of Laplace Estimators and the Robust Huber for Estimate parameters logistic regression model
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The logistic regression model regarded as the important regression Models ,where of the most interesting subjects in recent studies due to taking character more advanced in the process of statistical analysis .                                                

The ordinary estimating methods is failed in dealing with data that consist of the presence of outlier values and hence on the absence of such that have undesirable effect on the result.    &nbs

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Publication Date
Tue Jun 01 2021
Journal Name
International Journal Of Business And Technopreneurship
Assessment of Entrepreneurship Education on the Relationship Between Attitude, Subjective Norms, Perceived Behavioural Control and Entrepreneurial Intention
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Entrepreneurial events are understood to be imperious in accelerating the economic development of nations owing to a large number of jobs it creates. Thus, both developed and developing countries understand the importance of entrepreneurship education to instil student interest in entrepreneurial action. This study investigates the moderating effect of entrepreneurship education (EEP) on the relationship between attitude (ATT), subjective norms (SNMS), and perceived behavioural control (PBC) towards entrepreneurship intention (EINT) of university undergraduate students. The study population covered 794 students from all the four faculties of Northwest University Kano, that were taught a compulsory entrepreneurship education course in their

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