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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Tue May 30 2023
Journal Name
Iraqi Journal Of Science
Crude Oil Price Forecasts Using Support Vector Regression and Technical Indicators
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Oil price forecasting has captured the attention of both researchers and academics because of the unique characteristics of crude oil prices and how they have a big impact on a lot of different parts of the economic value of the product. As a result, most academics use a lot of different ways to predict the future. On the other hand, researchers have a hard time because crude oil prices are very unpredictable and can be affected by many different things. This study uses support vector regression (SVR) with technical indicators as a feature to improve the prediction of the monthly West Texas Intermediate (WTI) price of crude oil. The root mean square error (RMSE), mean absolute error (MAE), and mean absolute percentage error (MAPE) measur

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Publication Date
Sun Jan 01 2023
Journal Name
Journal Of The Mechanical Behavior Of Materials
Groundwater flow modeling and hydraulic assessment of Al-Ruhbah region, Iraq
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Abstract<p>Al-Ruhbah region is located in the southwest of Najaf Governorate. A numerical model was created to simulate groundwater flow and analyze the water quality of the groundwater, by developing a conceptual model within the groundwater modeling system software. Nineteen wells were used, 15 for pumping and four for observation. A three-dimensional model was built based on the cross-sections indicating the geologic layers of the study area, which were composed of five layers. When a distance of 1,000 m between the wells was adopted, 135 wells can be operated simultaneously. These wells were hypothetically operated at 6, 12, and 18 h intervals, with a discharge of 200, 430, and 650 m<j></j></p> ... Show More
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Publication Date
Sat Jan 01 2022
Journal Name
International Journal Of Management And Enterprise Development
Studying the decision-making state and impact in Iraqi construction projects
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Publication Date
Sat Jan 01 2022
Journal Name
The Journal Of Agrobiotechnology Management & Economic
Economic Stability and Its Role in Achieving Inclusive Growth in Iraq
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Abstract: This research aims to investigate and analyze the most pressing issues facing the Iraqi economy, namely economic stability and inclusive growth Consequently, the present study investigates the effect of inflation and unemployment, which are significant contributors to economic instability, on inclusive growth dimensions such as GDP, education, health, governance, poverty, income inequality, and environmental performance. From 1991 to 2021, secondary data were collected using World Bank Indicators (WDI) and Organization for Economic Cooperation and Development (OECD) databases. The researchers also employed the autoregressive distributed lag (ARDL) model to determine the relationship between variables. The study revealed that fluct

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Publication Date
Sat Jan 01 2022
Journal Name
Materials Today: Proceedings
Application of levofloxacin and doxycycline in treatment of vaginal chlamydial infection
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Doxycycline and levofloxacin are heterocyclic organic compounds that are now popularly used to treat some bacterial infections. In this study which was conducted on patients from a private clinic, we compared the use of two commonly used antibiotics for the treatment of diagnosed cases with vaginal chlamydial infection: levofloxacin and doxycycline. Vaginal chlamydial infection is considered to be a very common sexually transmitted infection. It may have minimal symptoms which can lead to neglect by the patient until it leads to some important complications among which is the inability to become pregnant. This indicates early diagnosis and treatment of this infection. By comparing the results of treatment we concluded that there is no much

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Publication Date
Tue Jan 01 2013
Journal Name
University Of Thiqar Journal
Problems of Translating Cultural Signs with Reference to English and Arabic
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Publication Date
Fri Dec 22 2023
Journal Name
Al-rafidain Journal Of Medical Sciences ( Issn 2789-3219 )
Clinical Characteristics and Therapeutic Management of Osteogenesis Imperfecta in Iraqi Children
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Background: Osteogenesis imperfecta (OI) is a rare congenital condition that results in bone fragility, recurrent fractures, and various extra-skeletal manifestations. Currently, intravenous bisphosphonate is the mainstay of medical treatment in OI. Objective: To identify the effect of current management strategies on Iraqi children diagnosed with OI. Methods: A retrospective study enrolled OI patients who were registered in Central Child Teaching Hospital, Baghdad, Iraq, from January 2015 to December 2022. We enrolled confirmed OI cases (either clinically and/or radiologically) who received cyclic pamidronate therapy for at least 3 cycles. They neither received other types of bisphosphonates nor underwent surgical intervention. Res

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Publication Date
Wed Sep 01 2004
Journal Name
Faculty Of Engineering/mustansiriyah University
Studying and Analyzing Actual Safety Situation of Construction Factories in Iraq
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Safety programmes are considered one of the means to protect workers from different accidents and injuries and also to protect all assets including machines equipment and various materials. In spite of world state interests in occupational safety, this subject didn't get the required attention by senior staff of management at most of our country construction factories and the application of safety programmes still limited and in active. In order to a achieve the goal of the study, scientific method has been pursued to obtain the necessary information related to this study through tours to related companies and their construction factories and review literature that deal with occupational safety subject and their programmes and cost, in a

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Publication Date
Thu Dec 19 2024
Journal Name
Ieee Explorer
A Novel Flow Priority and Continuity Control Mechanism in SDN Network
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In recent days, the escalating need to seamlessly transfer data traffic without discontinuities across the Internet network has exerted immense pressure on the capacity of these networks. Consequently, this surge in demand has resulted in the disruption of traffic flow continuity. Despite the emergence of intelligent networking technologies such as software-defined networking, network cloudification, and network function virtualization, they still need to improve their performance. Our proposal provides a novel solution to tackle traffic flow continuity by controlling the selected packet header bits (Differentiated Services Code Point (DSCP)) that govern the traffic flow priority. By setting the DSCP bits, we can determine the appropriate p

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Publication Date
Mon Jan 01 2024
Journal Name
Explainable Artificial Intelligence In The Digital Sustainability Administration
Artificial Intelligence and Trends Using in Sustainability Audit: A Bibliometric Analysis
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