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A Theoretical Investigation of Chemical Bonding of a Heterometallic Trinuclear Cluster Containing Iridium and Ruthenium: [(Cp*Ir) (CpRu)2 (μ3-H) (μ-H)3] by QTAIM Approach
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  Numerous integral and local electron density’s topological parameters of significant metal-metal and metal-ligand bonding interactions in a trinuclear tetrahydrido cluster [(Cp* Ir) (Cp Ru)2 (μ3-H) (μ-H)3]1 (Cp = η5 -C5Me5), (Cp* = η5 -C5Me4Et) were calculated and interpreted by using the quantum theory of atoms in molecules (QTAIM). The properties of bond critical points such as the 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 Ru2IrH4 part, the calculations showed that there are no bond critical points (BCPs) or identical bond paths (BPs) between Ru-Ru and Ru-Ir. The distribution of electron densities is determined by the position of bridging hydride atoms coordinated to Ru-Ru and Ru-Ir, 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 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 Ir-H bonds in this cluster is typical for open-shell interactions. Also, the topological data for the bond interactions between Ir 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
Thu Mar 29 2018
Journal Name
Construction Research Congress 2018
Consideration of Worker Safety in the Design Process: A Statistical-Based Approach Using Analysis of Variance (ANOVA)
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Publication Date
Fri Nov 21 2025
Journal Name
Journal Of Advances In Information Technology
Towards Accurate SDG Research Categorization: A Hybrid Deep Learning Approach Using Scopus Metadata
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The complexity and variety of language included in policy and academic documents make the automatic classification of research papers based on the United Nations Sustainable Development Goals (SDGs) somewhat difficult. Using both pre-trained and contextual word embeddings to increase semantic understanding, this study presents a complete deep learning pipeline combining Bidirectional Long Short-Term Memory (BiLSTM) and Convolutional Neural Network (CNN) architectures which aims primarily to improve the comprehensibility and accuracy of SDG text classification, thereby enabling more effective policy monitoring and research evaluation. Successful document representation via Global Vector (GloVe), Bidirectional Encoder Representations from Tra

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Publication Date
Tue Apr 24 2018
Journal Name
Journal Of The American Geriatrics Society
A Systems Approach to Identify Factors Influencing Adverse Drug Events in Nursing Homes
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The objectives of the study were to identify the incidence rate and characteristics of adverse drug events (ADEs) in nursing homes (NHs) using the ADE trigger tool and to evaluate the relationships between resident and facility work system factors and incidence of ADEs using the System Engineering Initiative for Patient Safety (SEIPS) model. The study used 2 observational quantitative methods, retrospective resident chart extraction, and surveys. The participating staff included Directors of nursing, registered nurses, certified nurse assistants (CNAs). Data were collected from fall 2016 to spring 2017 from 11 NHs in 9 cities in Iowa. Binary logistic regression with generalized estimated equations was used to measure the association

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Publication Date
Sat Dec 30 2023
Journal Name
Traitement Du Signal
Optimizing Acoustic Feature Selection for Estimating Speaker Traits: A Novel Threshold-Based Approach
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Publication Date
Wed Jun 15 2022
Journal Name
Journal Of Sensors
A Modern Approach towards an Industry 4.0 Model: From Driving Technologies to Management
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Every so often, a confluence of novel technologies emerges that radically transforms every aspect of the industry, the global economy, and finally, the way we live. These sharp leaps of human ingenuity are known as industrial revolutions, and we are currently in the midst of the fourth such revolution, coined Industry 4.0 by the World Economic Forum. Building on their guideline set of technologies that encompass Industry 4.0, we present a full set of pillar technologies on which Industry 4.0 project portfolio management rests as well as the foundation technologies that support these pillars. A complete model of an Industry 4.0 factory which relies on these pillar technologies is presented. The full set of pillars encompasses cyberph

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Publication Date
Wed May 04 2022
Journal Name
Theory And Practice In Language Studies
Investigating EFL Learners’ Ability to Analyse Poetic Language: A Pedagogical Corpus Stylistic Approach
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Pedagogical stylistics refers to the application of the tools of stylistics in the teaching of the English language as a foreign or a second language.  Teaching and learning poetry is challenging. Thus, pedagogical corpus stylistics (Henceforth, PCS) approach has been introduced to Iraqi undergraduate foreign language learners (EFL) to guide them to analyze poetic language.  The study aims to make students interact with authentic examples of poetic language and answer questions about it. The main objective of the study is to examine whether PCS tools enable the learners to provide linguistic evidence from the poetic texts they are exposed to. This in turn ensures objective poetic analyses. Moreover, it aims to enable EFL Iraqi stu

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Publication Date
Wed Aug 27 2025
Journal Name
2025 International Conference On Electrical, Communication And Computer Engineering (icecce)
A Hybrid Deep Learning Approach for Fault Classification in Electric Vehicle Drive Motors
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A new and hybrid deep learning-based approach for diagnosing faults in electric vehicle (EV) drive motors is proposed in this article. This article presents a new and hybrid deep learning-based method of diagnosing faults in the drive motors of electric vehicles (EV). In contrast to standard CNNLSTM approaches that depend on SoftMax classification, the introduced framework combines a Random Forest (RF) classifier to enhance the generalization, interpretability, and robustness of fault prediction. Furthermore meant for use on edge computing equipment with IoT integration, the design allows for real-time monitoring in resource-limited settings. The introduced algorithm utilizes a Random Forest (RF) classifier for accurate fault classification

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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
Tue Jun 01 2021
Journal Name
Baghdad Science Journal
Experimental and Theoretical Study of Neomycin Sulfate as Corrosion Protection for Titanium in Acid Media
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        The experimental and theoretical methods were studied for inhibition of the corrosion titanium in HCl by using neomycin sulfate drug. The results of neomycin sulfate drug had good corrosion protection for titanium in hydrochloric acid and the inhibition efficiency (%IE) increasing with increasing concentration of drug because the neomycin sulfate drug had adsorption from acid solution on surface of titanium metal. The program of hyperchem-8.07 was used for theoretical study of the drug by molecular mechanics and semi-empirical calculations. Quantum chemical was studied drug absorption and electron transferred from the drug to the Titanium metal, also inhibition potentials of drug attachment with the (LUMO-HOMO) energy gap,

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Publication Date
Wed Sep 30 2015
Journal Name
College Of Islamic Sciences
Jurisprudence of Imam women through Susan Book of blood money
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Jurisprudence of Imam women through Susan Book of blood money

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