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Spherical Aromaticity of Tetrahedral Pnictogens Through <i>Off</i> ‐Nucleus Isotropic Magnetic Shielding
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This work revealed the spherical aromaticity of some inorganic E4 cages and their protonated E4H+ ions (E=N, P, As, Sb, and Bi). For this purpose, we employed several evaluations like (0D-1D) nucleus independent chemical shift (NICS), multidimensional (2D-3D) off-nucleus isotropic shielding σiso(r), and natural bond orbital (NBO) analysis. The magnetic calculations involved gauge-including atomic orbitals (GIAO) with two density functionals B3LYP and WB97XD, and basis sets of Jorge-ATZP, 6-311+G(d,p), and Lanl2DZp. The Jorge-ATZP basis set showed the best consistency. Our findings disclosed non-classical aromatic characters in the above molecules, which decreased from N to Bi cages. Also, the results showed more aromaticity in E4 than E4H+. The NBO analysis attributed the aromaticity in the above molecules to the residual density of the overlapping σ-bonding orbitals. So, the aromaticity in these molecules is unlike the classical aromaticity that is associated with electron delocalization. Scanning 1D σiso(r) variation along E−E bonds indicated a lowering in the shielding trend from N to Bi cages. The 3D results showed a similar decrease in the relative volumetric diffusion of the magnetic activity, whereas the volumetric ratio of V1ppm/V2ppm is almost constant for all the E4 cages.

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Publication Date
Wed May 03 2023
Journal Name
Periodicals Of Engineering And Natural Sciences (pen)
Enhancing smart home energy efficiency through accurate load prediction using deep convolutional neural networks
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The method of predicting the electricity load of a home using deep learning techniques is called intelligent home load prediction based on deep convolutional neural networks. This method uses convolutional neural networks to analyze data from various sources such as weather, time of day, and other factors to accurately predict the electricity load of a home. The purpose of this method is to help optimize energy usage and reduce energy costs. The article proposes a deep learning-based approach for nonpermanent residential electrical ener-gy load forecasting that employs temporal convolutional networks (TCN) to model historic load collection with timeseries traits and to study notably dynamic patterns of variants amongst attribute par

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Publication Date
Tue Dec 01 2020
Journal Name
Baghdad Science Journal
Emergency Messages Dissemination Challenges Through Connected Vehicles for Efficient Intelligent Transportation Systems: A Review
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Recent growth in transport and wireless communication technologies has aided the evolution of Intelligent Transportation Systems (ITS). The ITS is based on different types of transportation modes like road, rail, ocean and aviation. Vehicular ad hoc network (VANET) is a technology that considers moving vehicles as nodes in a network to create a wireless communication network. VANET has emerged as a resourceful approach to enhance the road safety. Road safety has become a critical issue in recent years. Emergency incidents such as accidents, heavy traffic and road damages are the main causes of the inefficiency of the traffic flow. These occurrences do not only create the congestion on the road but also increase the fuel consumption and p

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Publication Date
Wed Oct 01 2014
Journal Name
Iosr Journal Of Mathematics
Flow through an Oscillating Rectangular Duct for Generalized Oldroyd-B Fluid with Fractional Derivatives
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The analytic solution for the unsteady flow of generalized Oldroyd- B fluid on oscillating rectangular duct is studied. In the absence of the frequency of oscillations, we obtain the problem for the flow of generalized Oldroyd- B fluid in a duct of rectangular cross- section moving parallel to its length. The problem is solved by applying the double finite Fourier sine and discrete Laplace transforms. The solutions for the generalized Maxwell fluids and the ordinary Maxwell fluid appear as limiting cases of the solutions obtained here. Finally, the effect of material parameters on the velocity profile spotlighted by means of the graphical illustrations

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Publication Date
Sun Jan 01 2023
Journal Name
Journal Of Intelligent Systems
A study on predicting crime rates through machine learning and data mining using text
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Abstract<p>Crime is a threat to any nation’s security administration and jurisdiction. Therefore, crime analysis becomes increasingly important because it assigns the time and place based on the collected spatial and temporal data. However, old techniques, such as paperwork, investigative judges, and statistical analysis, are not efficient enough to predict the accurate time and location where the crime had taken place. But when machine learning and data mining methods were deployed in crime analysis, crime analysis and predication accuracy increased dramatically. In this study, various types of criminal analysis and prediction using several machine learning and data mining techniques, based o</p> ... Show More
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Publication Date
Sat Oct 01 2011
Journal Name
Journal Of Engineering
DEVELOPING LAMINAR MIXED CONVECTION HEAT TRANSFER THROUGH VERTICAL CONCENTRIC ANNULI WITH ADIABATIC INNER CYLINDER
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Theoretical and experimental investigations have been carried out on developing laminar
combined free and forced convection heat transfer in a vertical concentric annulus with uniformly
heated outer cylinder (constant heat flux) and adiabatic inner cylinder for both aiding and opposing
flows. The theoretical investigation involved a mathematical modeling and numerical solution for
two dimensional, symmetric, simultaneously developing laminar air flows was achieved. The
governing equations of motion (continuity, momentum and energy) are solved by using implicit
finite difference method and the Gauss elimination technique. The theoretical work covers heat flux
range from (200 to 1500) W/m2, Re range from 400 to 2000 an

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Publication Date
Mon Jan 01 2024
Journal Name
Journal Of Engineering
Improving Press Bending Production Quality through Finite Element Simulation: Integration CAD and CAE Approach
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Efficient operations and output of outstanding quality distinguish superior manufacturing sectors. The manufacturing process production of bending sheet metal is a form of fabrication in the industry of manufacture in which the plate is bent using punches and dies to the angle of the work design. Product quality is influenced by plate material selection, which includes thickness, type, dimensions, and material. Because no prior research has concentrated on this methodology, this research aims to determine V-bending capacity limits utilizing the press bending method. The inquiry employed finite element analysis (FEA), along with Solidworks was the tool of choice to develop drawings of design and simulations. The ASTM E290

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Publication Date
Tue Dec 20 2022
Journal Name
International Journal Of Professional Business Review
Improve the Competitive Advantage Through Human Resources Management Practices in the Iraqi Banking Sector
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Purpose: This study's objective is to assess this relationship in the context of the banking industry in Iraq. The human resources management practices (HRMPs) Theoretical framework: in this study included recruiting and selection, training and development, performance appraisal, compensation and reward to testing relationship HRMPs. Design/methodology/approach: in this study; We analysed by used a quantitative approach, and 246 employees were selected as a sample and given a questionnaire. The SPSS software was used to examine the data that were obtained from the questionnaire. Findings: The study's findings revealed a variety of hypotheses and conclusions, including the following: competitive advantage (CA) is positively impacted by

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Publication Date
Tue Dec 20 2022
Journal Name
International Journal Of Professional Business Review
Improve the Competitive Advantage Through Human Resources Management Practices in the Iraqi Banking Sector
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Purpose: This study's objective is to assess this relationship in the context of the banking industry in Iraq. The human resources management practices (HRMPs) Theoretical framework: in this study included recruiting and selection, training and development, performance appraisal, compensation and reward to testing relationship HRMPs. Design/methodology/approach: in this study; We analysed by used a quantitative approach, and 246 employees were selected as a sample and given a questionnaire. The SPSS software was used to examine the data that were obtained from the questionnaire. Findings: The study's findings revealed a variety of hypotheses and conclusions, including the following: comp

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Publication Date
Wed Jan 01 2025
Journal Name
Ieee Access
Enhanced Spectral Efficiency in RIS-Assisted MIMO Systems Through Joint Precoding and RIS Configuration
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Publication Date
Fri Jan 02 2015
Journal Name
Desalination And Water Treatment
Effect of pH on the performance of olive pips reactive barrier through the migration of copper-contaminated groundwater
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