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Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism
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Abstract<p>Herein, we report designing a new Δ (delta‐shaped) proton sponge base of 4,12‐dihydrogen‐4,8,12‐triazatriangulene (compound <bold>1</bold>) and calculating its proton affinity (<italic>PA</italic>), aromatic stabilization, natural bond orbital (NBO), electron density <italic>ρ</italic>(r), Laplacian of electron density ∇<sup>2</sup><italic>ρ</italic>(r), (2D‐3D) multidimensional <italic>off</italic>‐nucleus magnetic shielding (<italic>σ</italic><sub>zz</sub>(r) and <italic>σ</italic><sub>iso</sub>(r)), and scanning nucleus‐independent chemical shift (NICS<sub>zz</sub> and NICS). Density functional theory (DFT) at B3LYP/6‐311+G(d,p), ωB97XD/6‐311+G(d,p), and PW91/def2TZVP were used to compute the magnetic shielding variables. In addition, relevant bases like pyridine, quinoline, and acridine were also studied and compared. The protonation of compound <bold>1</bold> yields a highly symmetric carbocation of three Hückel benzenic rings. Comparing our findings of the studied molecules showed that compound <bold>1</bold> precedes others in <italic>PA</italic>, aromatic isomerization stabilization energy, and basicity. Therefore, the basicity may be enhanced when a conjugate acid gains higher aromatic features than its unprotonated base. Both multidimensional <italic>σ</italic><sub>zz</sub>(r) and <italic>σ</italic><sub>iso</sub>(r) <italic>off</italic>‐nucleus magnetic shieldings outperformed electron‐based techniques and can visually monitor changes in aromaticity that occur by protonation. The B3LYP/6‐311+G(d,p), ωB97XD/6‐311+G(d,p), and PW91/def2TZVP levels showed no significant differences in detailing isochemical shielding surfaces.</p>
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Publication Date
Mon Jan 01 2018
Journal Name
Al–bahith Al–a'alami
The Communicative Integration in New Media: Building a Communicative Model
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The internet, unlike other traditional means of communication, has a flexibility to stimulate the user and allows him to develop it. Perhaps, the reason for the superiority of the internet over other traditional means of communication is the possibility of change and transmission from one stage to another in a short period. This means that the internet is able to move from the use to the development of the use and then the development of means and innovation as the innovation of the internet is a logical product of the interaction of the user with the network. The internet invests all the proposals and ideas and does not ignore any even if it is simple. This is represented in social networking sites which in fact reflects personal emotio

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Publication Date
Sun Mar 01 2026
Journal Name
Journal Of Information Hiding And Multimedia Signal Processing
Designing a New Text Encryption Approach Based on Genetic Algorithm
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Today, data security is a major problem concerning organizations and indi- viduals. The confidentiality of information is associated with using reliable and robust encryption algorithms in systems. Cyber-attacks on data and systems have become prevalent and sophisticated, and are increasing rapidly; hence, the need for developing robust encryption algorithms is crucial nowadays. This paper proposes a new encryption algorithm using dynamic symmetric key cryptography to encrypt text files. It utilizes a secret key for encryption and decryption processes, where the key’s length is varied depending on the text size. This presented approach gives a trade-off between speed and security, making it suitable for various applications, such as secur

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Scopus
Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
A New Hybrid Meta-Heuristics Algorithms to Solve APP Problems
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Abstract<p>In this paper, a new hybrid algorithm for linear programming model based on Aggregate production planning problems is proposed. The new hybrid algorithm of a simulated annealing (SA) and particle swarm optimization (PSO) algorithms. PSO algorithm employed for a good balance between exploration and exploitation in SA in order to be effective and efficient (speed and quality) for solving linear programming model. Finding results show that the proposed approach is achieving within a reasonable computational time comparing with PSO and SA algorithms.</p>
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Publication Date
Wed Feb 20 2019
Journal Name
Iraqi Journal Of Physics
Theoretical spectroscopic studies of potential energy curves and Fortran parabola for beryllium oxide molecule
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    Theoretical spectroscopic  studies of  beryllium oxide has been  carried out, potential energy curves for ground states X1Σ+ and exited states A1Π , B1Σ+ by using two functions Morse and  and Varshni compared with experimental results. The potentials of this molecule are agreement with experimental results. The Fortrat Parabola corrcponding to  and branches were determind in the range 1<J<20 for the (0-0) band. It was found that for electronic transition  A1Π- X1Σ+  the bands head lies in  branche of  Fortrat p

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Publication Date
Sun Jul 09 2023
Journal Name
Journal Of Engineering
An Investigation into Thermal Performance of Mist Water System and The Related Consumption Energy
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Experimental tests were conducted to investigate the thermal performance (cooling effect) of water mist system consisting of 5μm volume median diameter droplets in reducing the heat gain entering a room through the roof and the west wall by reducing the outside surface temperature due to the evaporative cooling effect during the hot dry summer of Baghdad/Iraq. The test period
was Fifty one days during the months May, June, and July 2012. The single test day consists of 16 test hours starting from 8:00 am to 12:00 pm. The results showed a reduction range of 1.71 to 15.5℃ of the roof outside surface temperature and 21.3 to 76.6% reduction in the daily heat flux entering the room through the roof compared with the case of not using w

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Publication Date
Thu Mar 17 2016
Journal Name
International Journal Of Computer Applications
Analysis of Wind Speed Data and Annual Energy Potential at Three locations in Iraq
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Publication Date
Tue Jul 15 2025
Journal Name
Chalcogenide Letters
Gamma radiation dose's impact on the energy states and structural properties of Se70Ge20Sb10 alloy
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Four Se70Ge20Sb10 alloy samples were prepared using the melt quenching technique. To improve the energy states of the mobility gap, the samples were exposed to gamma radiation from 60Co source at various doses of 600, 1200, 1500, and 2000 Gy. The electrical characteristics were examined both before and after irradiation. The conductivity analysis revealed that all of our samples were impacted by gamma radiation. The reorganization of the amorphous lattice and the degree of radiation-induced disorder have been involved in the changes that occurred in the electrical characteristics of the irradiated samples. All irradiated and non-irradiated samples feature three conduction mechanisms at low temperatures, where the electrical conducti

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Publication Date
Sun Mar 02 2008
Journal Name
Baghdad Science Journal
Study the Band Energy Structure and Absorption Coefficient for PbSe Thin Films
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The PbSe alloy was prepared in evacuated quarts tubs by the method of melt quenching from element, the PbSe thin films prepared by thermal evaporation method and deposited at different substrate temperature (Ts) =R.T ,373 and 473K . The thin films that deposited at room temperature (R.T=303)K was annealed at temperature, Ta= R.T, 373 and 473K . By depended on D.C conductivity measurements calculated the density of state (DOS), The density of extended state N(Eext) increases with increasing the Ts and Ta, while the density of localized state N(Eloc) is decreased . We investigated the absorption coefficient (?) that measurement from reflection and transmission spectrum result, and the effect of Ts and Ta on it , also we calculated the tai

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Publication Date
Wed Dec 13 2017
Journal Name
Al-khwarizmi Engineering Journal
Energy and Exergy Analysis on Modified Closed Wet Cooling Tower in Iraq
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The present study involves experimental analysis of the modified Closed Wet Cooling Tower (CWCT) based on first and second law of thermodynamics, to gain a deeper knowledge in this important field of engineering in Iraq. For this purpose, a prototype of CWCT optimized by added packing under a heat exchanger was designed, manufactured and tested for cooling capacity of 9 kW. Experiments are conducted to explore the effects of various operational and conformational parameters on the towers thermal performance. In the test section, spray water temperature and both dry bulb temperature and relative humidity of air measured at intermediate points of the heat exchanger and packing. Exergy of water and air were calculated by applying the exergy

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Publication Date
Sat Dec 01 2018
Journal Name
Indonesian Journal Of Electrical Engineering And Computer Science
An Energy-Aware and Load-balancing Routing scheme for Wireless Sensor Networks
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<p>Energy and memory limitations are considerable constraints of sensor nodes in wireless sensor networks (WSNs). The limited energy supplied to network nodes causes WSNs to face crucial functional limitations. Therefore, the problem of limited energy resource on sensor nodes can only be addressed by using them efficiently. In this research work, an energy-balancing routing scheme for in-network data aggregation is presented. This scheme is referred to as Energy-aware and load-Balancing Routing scheme for Data Aggregation (hereinafter referred to as EBR-DA). The EBRDA aims to provide an energy efficient multiple-hop routing to the destination on the basis of the quality of the links between the source and destination. In

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