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Study the Chemical Bonding of Heterometallic Trinuclear Cluster Containing Cobalt and Ruthenium: [(Cp*Co) (CpRu)2 (μ3-H) (μ-H)3] using QTAIM Approach
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The topological parameters of the metal-metal and metal-ligand bonding interactions in a trinuclear tetrahydrido cluster [(Cp*Co) (CpRu)2 (μ3-H) (μ-H)3]1 (Cp* = η5 -C5Me4Et), (Cp = η5 -C5Me5), was explored by using the Quantum Theory of Atoms-in-Molecules (QTAIM). The properties of bond critical points such as the bond delocalization indices δ (A, B), the electron density ρ(r), the local kinetic energy density G(r), the Laplacian of the electron density ∇2ρ(r), the local energy density H(r), the local potential energy density V(r) and ellipticity ε(r) are compared with data from earlier organometallic system studies. A comparison of the topological processes of different atom-atom interactions has become possible thanks to these results. In the core of the heterometallic tetrahydrido cluster, the Ru2CoH4 part, the calculations show no existence of any bond critical points (BCP) or identical bond paths (BPs) between Ru-Ru and Ru-Co. Electron densities are determined by the position of bridging hydride atoms coordinated to Ru-Ru and Ru-Co, which significantly affects the bonds between these transition metal atoms. On the other hand, the results confirm that the cluster under study contains a 7c–11e bonding interaction delocalized over M3H4, as shown by the non-negligible delocalization index calculations. The small values for electron density ρ(b) above zero, together with the small values, again above zero, for Laplacian ∇2ρ(b) and the small positive values for total energy density H(b), are shown by the Ru-H and Co-H bonds in this cluster is typical for open-shell interactions. Also, the topological data for the bond interactions between Co and Ru metal atoms with the C atoms of the cyclopentadienyl Cp ring ligands are similar. They show properties very identical to open-shell interactions in the QTAIM classification.

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Publication Date
Sat Nov 01 2025
Journal Name
Iop Conference Series: Earth And Environmental Science
Optimizing Irrigation Water Quality Index Along the Tigris River Using Gravitational Search Algorithm: A Novel Approach for Sustainable Water Management
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Abstract<p>The Tigris River, a vital water resource for Iraq, faces significant challenges due to urbanization, agricultural runoff, industrial discharges, and climate change, leading to deteriorating water quality. Traditional methods for assessing irrigation water quality, such as laboratory testing and statistical modeling, are often insufficient for capturing dynamic and nonlinear relationships between parameters. This study proposes a novel application of the Gravitational Search Algorithm (GSA) to estimate the Irrigation Water Quality Index (IWQI) along the Tigris River. Using data from multiple stations, the study evaluates spatial variability in water quality, focusing on key paramete</p> ... Show More
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Publication Date
Sun Jan 01 2023
Journal Name
International Journal Of Research In Social Sciences &amp; Humanities
HRM Management Approaches, With a Focus on Employee Centric Approach: A Case Study In The Rafidain Bank In Iraq
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This research attempts to shed light on a topic that is considered one of the most important topics of HRMs management, which is the Employee centric approach by examining its philosophy and understanding . To achieve the goal, the research relied on the philosophical analytical method, which is one of the approaches used in theoretical studies. The research reached a set of conclusions, the most important of which are the theoretical studies that addressed this entry in the English language and the lack of it in the Arabic language, according to the researcher's knowledge. The research reached a set of recommendations, the most important of which was that this approach needs more research, analysis and study at the practical and th

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Publication Date
Thu Aug 01 2019
Journal Name
Journal Of Economics And Administrative Sciences
Analyzing current and future direction of non-oil primary balance: Case Study of Iraq Using Exponential Smoothing model
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In recent years, non-oil primary balance indicator has been given considerable financial important in rentier state. It highly depends on this indicator to afford a clear and proper picture of public finance situation in term of appropriate and sustainability in these countries, due to it excludes the effect of oil- rental from compound of financial accounts which provide sufficient information to economic policy makers of how economy is able to create potential added value and then changes by eliminating one sided shades of economy. In Iraq, since, 2004, the deficit in value of this indicator has increased, due to almost complete dependence on the revenues of the oil to finance the budget and the obvious decline of the non-oil s

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Publication Date
Tue Oct 08 2002
Journal Name
Iraqi Journal Of Laser
Laser Detection and Tracking System Using an Array of Photodiodes with Fuzzy Logic controller
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In this work laser detection and tracking system (LDTS) is designed and implemented using a fuzzy logic controller (FLC). A 5 mW He-Ne laser system and an array of nine PN photodiodes are used in the detection system. The FLC is simulated using MATLAB package and the result is stored in a lock up table to use it in the real time operation of the system. The results give a good system response in the target detection and tracking in the real time operation.

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Publication Date
Wed Feb 20 2019
Journal Name
Political Sciences Journal
National security and human security concepts in the study
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Security reflects a permanent and complex movement that complies with international and societal needs and developments in all its dimensions, interactions and levels. To constitute a universal demand for all States, communities and individuals. The question of security is one of the most important motivations and motivations that govern the behavior, and even the objectives of those societies and States. These groups or individuals have always sought to avoid fear and harm, and to provide stability, safety and security. In the light of this, security studies have been among the important fields of study in the field of international and strategic relations. The field witnessed many theoretical efforts, from the traditional perspective,

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Publication Date
Tue Jan 01 2019
Journal Name
In Indian Journal Of Public Health Research And Development
The Significance of p53, Bcl-2, and HER-2/neu Protein Expression in Iraqi Females Breast Cancer Cell Line (AMJ13)
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Publication Date
Thu Apr 25 2019
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
SYNTHESIS, CHARACTERIZATION AND STUDY THE ANTIBACTERIAL ACTIVITY OF SOME DISUBSTUTITED-1,3,4-OXADIAZOLE DERIVATIVES: SYNTHESIS, CHARACTERIZATION AND STUDY THE ANTIBACTERIAL ACTIVITY OF SOME DISUBSTUTITED-1,3,4-OXADIAZOLE DERIVATIVES
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The purpose of this study is to determine the useful of Schiff bases derivatives containing (oxazepine, tetrazole) rings with biological activity which can be used as drug and antimicrobial, the present work is started from [Binary (2,5(4,'4-diaminophenyl) – 1,3,4 – oxadiazole]. A variety of Schiff bases and heterocyclic (oxazepine, tetrazole) have been synthesis, and confirm that structures by physical properties , FTIR , 1H-NMR, 13C-NMR, elemental analysis, [Microbial study against three type of bacteria (staphylococcus aurea and klebsiella pneumonia) and (Canadida albncans) fungi].All analyzation performed in center of consulatation University of Jordan.

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Publication Date
Thu Oct 01 2015
Journal Name
Al-academy
Artistic and intellectual embodiment of the stream of consciousness approach in the film novelist: نهاد حامد ماجد
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In the midst of the public narrative film , we discussed the issue of dealing with the current narrative more specialized which its future dimension form shift and twist on the level of construction narrative film in some of its diverse and renewable trends in its two ways theoretical and practical and non-give important implications for the modes of operation of the renewable narrative structures and the fact that the cinema is an arts which always open to ideas in neighboring fields and this come naturally as a result of the continuing intellectual and knowledge sharing between cinema and other science . our current research has already begun to address the issue in a stream of consciousness narrative structure film based on all that t

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Publication Date
Wed May 01 2019
Journal Name
Iop Conference Series: Materials Science And Engineering
Simulation Physical and Chemical Blowing Agents for Polyurethane Foam Production
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Abstract<p>Use of computer simulation to quantify the effectiveness of blowing agents can be an effective tool for optimizing formulations and for the adopting of new blowing agents. This paper focuses on a mass balance on blowing agent during foaming including the quantification of the amount that stays in the resin, the amount that ends up in the foam cells, and the pressure of the blowing agent in the foam cells. Experimental data is presented both in the sense of developing the simulation capabilities and the validating of simulation results.</p>
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Publication Date
Sat Dec 02 2017
Journal Name
Al-khwarizmi Engineering Journal
Direction Finding Using GHA Neural Networks
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 This paper adapted the neural network for the estimating of the direction of arrival (DOA). It uses an unsupervised adaptive neural network with GHA algorithm to extract the principal components that in turn, are used by Capon method to estimate the DOA, where by the PCA neural network we take signal subspace only and use it in Capon (i.e. we will ignore the noise subspace, and take the signal subspace only).

 

 

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