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Quantum Theory of Atom in Molecules Investigation Trinuclear Ruthenium: DFT Approach
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The topological indices of the "[(µ3-2, 5-dioxyocyclohexylidene)-bis ((2-hydrido)-nonacarbonyltriruthenium]” were studied within the quantum theory of atoms in the molecule (QTAIM), clusters are
analyzed using the density functional theory (DFT). The estimated topological variables accord with prior
descriptions of comparable transition metal complexes. The Quantum Theory of Atom, in molecules
investigation of the bridging core component, Ru3H2, revealed critical binding points (chemical bonding)
between Ru (1) and Ru (2) and Ru (3). Consequently, delocalization index for this non-bonding interaction
was calculated in the core of Ru3H2, the interaction is of the (5centre–5electron) class.

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Publication Date
Sun Jan 01 2023
Journal Name
Organization, Technology And Management In Construction: An International Journal
Using the ordinal priority approach for selecting the contractor in construction projects
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Abstract<p>Effective decision-making process is the basis for successfully solving any engineering problem. Many decisions taken in the construction projects differ in their nature due to the complex nature of the construction projects. One of the most crucial decisions that might result in numerous issues over the course of a construction project is the selection of the contractor. This study aims to use the ordinal priority approach (OPA) for the contractor selection process in the construction industry. The proposed model involves two computer programs; the first of these will be used to evaluate the decision-makers/experts in the construction projects, while the second will be used to formul</p> ... Show More
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Publication Date
Thu Nov 30 2023
Journal Name
Iraqi Journal Of Science
A Key Based Hybrid Approach for Privacy and Integrity in Multi-Cloud
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    Before users store data in the cloud, many security issues must be addressed, as they will have no direct control over the data that has been outsourced to the cloud, particularly personal and sensitive data (health, finance, military, etc.). This article proposes a system based on chaotic maps for private key generation. A hybrid encryption for fast and secure cryptography. In addition to a multi-cloud storage with Pseudonymized file names to preserve user data privacy on the cloud while minimizing data loss. As well as a hash approach to check data integrity. AES in combination with RSA and fragmenting the file is used for the encryption. Integrity is cheeked using SHA-3. The experiments demonstrated that the key generation stra

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Publication Date
Sat Jun 01 2019
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
Bulk binding approach for PMIPv6 protocol to reduce handoff latency in IoT
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<p>Mobility management protocols are very essential in the new research area of Internet of Things (IoT) as the static attributes of nodes are no longer dominant in the current environment. Proxy MIPv6 (PMIPv6) protocol is a network-based mobility management protocol, where the mobility process is relied on the network entities, named, Mobile Access Gateways (MAGs) and Local Mobility Anchor (LMA). PMIPv6 is considered as the most suitable mobility protocol for WSN as it relieves the sensor nodes from participating in the mobility signaling. However, in PMIPv6, a separate signaling is required for each mobile node (MN) registration, which may increase the network signaling overhead and lead to increase the total handoff latency

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Publication Date
Sun Apr 01 2018
Journal Name
Journal Of Economics And Administrative Sciences
The use of water resources in light of the challenges of water security in Iraq
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Iraq suffers from lack of water resources supply because the headwaters of the rivers located outside its borders and the influence of upstream countries on the quantities of flowing water, in addition to the increase of pressure on available water as a result of population increase and not adopting the principle of rationalization where misuse and wastage and lack of strategic vision to treat and manage water use in accordance with the economic implications fall.  This is reflected fallout on water security and subsequently on national and food security, while the issue of using water resources is development top priority in different countries in the world because of the importance of water effect on the security of indivi

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Publication Date
Sun Dec 27 2020
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Phytochemical Investigation of Aerial Parts of Iraqi Cardaria draba
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 The aim of this study was to study chemical constituents of aerial parts of Cardaria draba since no phytochemical investigation had been studied before in Iraq. Aerial parts of Cardaria draba were defatted by maceration in hexane for 72 h. The defatted plant materials were extracted using Soxhlet apparatus, the aqueous Methanol 90% as a solvent extraction for 18 h, and fractionated with petroleum ether- chloroform (CHCl3)- ethylacetate- and n-butanol respectivly. The ethyl acetate, n-butanol, and n-butanol after hydrolysis fractions were investigated by high performance liquid chromatography (HPLC) and thin-layer chromatography (TLC) for its phenolic acid and flavonoid contents. Flavono

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Publication Date
Wed Apr 06 2022
Journal Name
Neuroquantology
Theoretical Study of Photons Spectra around High Energy of Quark-antiquark Using QCD Theory
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In this paper, we study and investigate the quark anti-quark interaction mechanism through the annihilation process. The production of photons in association with interaction quark and gluon in the annihilation process. We investigate the effect of critical temperature, strength coupling and photons energy in terms of the quantum chromodynamics model theory framework. We find that the use of large critical temperature Tc =134 allows us to dramatically increase the strength coupling of quarks interaction. Its sensitivity to decreasing in photons rate with respect to strength coupling estimates. We also discuss the effect of photons energy on the rate of the photon , such as energies in range (1.5 to 5 GeV).The photons rate increases

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Publication Date
Thu Apr 27 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theory and Calculation of the Reorganization Energy of Electron Transfer at Liquid/Liquid Interface
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A description of the theoretical of the reorganization energies have been described  according to the outer-sphere Marcus model .It  is a given expression according this model unable to evaluate the reorganization energy for electron transfer at liquid /liquid interface. The spherical model approach have been used to  evaluate the radius of donor and acceptor liquid alternatively .Theoretical results of  the reorganization free energy for electron transfer at liquid/liquid interface system was  carried out . Matlap program is then used to calculate 𝐸0 for electron transfer reaction between water donor stated and many liquid acceptor state. This shows a good  agreement with the experiment. The results

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Publication Date
Fri Jan 01 2021
Journal Name
Materials Today: Proceedings
Study of some electronic and spectroscopic properties of ZnO nanostructers by density functional theory
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Publication Date
Thu Oct 15 2020
Journal Name
International Journal Of Energy Research
Mixed-ligand complexes of ampicillin derived Schiffbase ligand and Nicotinamide: Synthesis, physico-chemical studies, DFT calculation, antibacterial study and molecular docking analysis
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A novel series of mixed-ligand complexes of the type, [ML 1 (L 2 ) 3 ]Cl x [M = Cr(III), Fe(III), Co(II),Ni(II), Cu(II), Cd(II) and Hg(II), n = 2, 3], was synthesized using Schiffbase (HL 1 ) as main ligand, nicotinamide (L 2 ) as secondary ligand, and the corresponding metal ions in 1:3:1 molar ratio. The main ligand, HL 1 was prepared by the interaction of ampicillin drug and 4-chlorobenzophenone. The synthesized mixed ligand complexes were characterized by elemental analysis, UV-Vis, FT-IR, 1 H-NMR, 13 C-NMR and TG/DTG studies. In the mixed-ligand complexes, the Schiffbase ligand, HL 1 showed coordination to the central metal ion in tridentate manner via azomethine nitrogen, β-lactam ring oxygen and deprotonated carboxylic oxy- gen atom

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Publication Date
Sun Sep 22 2019
Journal Name
Baghdad Science Journal
Geometry, and Normal Modes of Vibration (3N-6) for Di and Tetra-Rings Layer (6, 0) Linear (Zigzag) SWCNTs; A DFT Treatment
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            Density Functional Theory (DFT) method of the type (B3LYP) and a Gaussian basis set (6-311G) were applied for calculating the vibration frequencies and absorption intensities for normal coordinates (3N-6) at the equilibrium geometry of the Di and Tetra-rings layer (6, 0) zigzag single wall carbon nanotubes (SWCNTs) by using Gaussian-09 program. Both were found to have the same symmetry of D6d point group with C--C bond alternation in all tube rings (for axial bonds, which are the vertical C--Ca bonds in rings layer and for circumferential bonds C—Cc in the outer and mid rings bonds). Assignments of the modes of vibration IR active and inactive vibration frequ

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