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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

  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)23-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
Fri May 01 2020
Journal Name
Journal Of Physics: Conference Series
The Product of Automorphic Weighted Composition Operators on Hardy Space H <sup>2</sup>
Abstract<p>Let <inline-formula> <tex-math><?CDATA $n\in {\mathbb{N}},{p}_{i}\in {\rm{U}},{\alpha }_{{P}_{i}}(z)=\frac{{p}_{i}-z}{1-{\bar{p}}_{i}z}(z\in {\rm{U}})$?></tex-math> <math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mrow> <mi>n</mi> <mo>∈</mo> <mi>ℕ</mi> <mo>,</mo> <msub> <mi>p</mi> <mi>i</mi> </msub></mrow></math></inline-formula></p> ... Show More
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Publication Date
Wed Jun 26 2019
Journal Name
Iraqi Journal Of Science
H-essential Submodules and Homessential Modules

The main goal of this paper is introducing and studying a new concept, which is named H-essential submodules, and we use it to construct another concept called Homessential modules. Several fundamental properties of these concepts are investigated, and other characterizations for each one of them is given. Moreover, many relationships of Homessential modules with other related concepts are studied such as Quasi-Dedekind, Uniform, Prime and Extending modules.

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Publication Date
Tue May 01 2018
Journal Name
International Journal Of Computer Trends And Technology
Two Phase Approach for Copyright Protection and Deduplication of Video Content in Cloud using H.264 and SHA-512

Cloud computing offers a new way of service provision by rearranging various resources over the Internet. The most important and popular cloud service is data storage. In order to preserve the privacy of data holders, data are often stored in cloud in an encrypted form. However, encrypted data introduce new challenges for cloud data deduplication, which becomes crucial for big data storage and processing in the cloud. Traditional deduplication schemes cannot work on encrypted data. Among these data, digital videos are fairly huge in terms of storage cost and size; and techniques that can help the legal aspects of video owner such as copyright protection and reducing the cloud storage cost and size are always desired. This paper focuses on v

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Publication Date
Sun Mar 01 2020
Journal Name
Baghdad Science Journal
Chemical Synthesis and Characterization of Conducting Polyaniline

     The polyaniline powder was chemically manufactured by direct oxidation of aniline. The resulting polymer was characterized by the results of optical, measurements by (FT-IR) spectroscopy, we have detected some of the absorption peaks located at 3498, 2858 cm-1, which correspond N-H vibrations, and C-H expansion of the aromatic ring respectively as well as stretching vibrations of quinoid ring have been observed. Structural properties, such as the surface topography using an atomic force microscope (AFM), and Surface composition by (SEM) have been studied. The structure of some pellets of polyaniline powder have been examined by using analytical X-ray diffraction technique, the pattern of obse

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Publication Date
Sun Oct 22 2023
Journal Name
Iraqi Journal Of Science
Mesomorphic Properties of Symmetric Hydrogen – Bonding Dimers Containing Chalcone Moiety

The work involves synthesis of a new homologous series of hydrogen bonding
liquid crystal dimers containing chalcone moiety. All the prepared compounds were
characterized by spectroscopic techniques such as FT – IR, 1H-NMR, 13C-NMR as
well as elemental analysis. All the synthesized dimers exhibited nematic and smectic
A phase. The mesophases behaviour and transitional temperatures were studied by
polarized microscopy and differential scanning calorimetry, and are discussed the
self- assemble of H-bonding donor and acceptor complexes

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Publication Date
Sun Jul 22 2018
Journal Name
New Journal Of Chemistry
Jahn–teller distortion in 2-pyridyl-(1, 2, 3)-triazole-containing copper (II) compounds

The syntheses, characterization and experimental solid state X-ray structures of five low-spin paramagnetic 2-pyridyl-(1,2,3)-triazole-copper compounds, [Cu(Ln)2Cl2], are presented in this study, for the following five Ln ligands: L1 = 2-(1-(p-tolyl)-1H-(1,2,3-triazol-4-yl)pyridine), L2 = 2-(1-(4- chlorophenyl)-1H-(1,2,3-triazol-4-yl)pyridine), L3 = 4-(4-(pyridin-2-yl)-1H-(1,2,3-triazol-4-yl)benzonitril), L4 = 2-(1-phenyl-1H-(1,2,3-triazol-4-yl)pyridine) and L5 = 2-(1-(4-(trifluoromethyl)phenyl)-1H-(1,2,3- triazol-4-yl)pyridine). These five [Cu(Ln)2Cl2] complexes each contain two bidentate 2-pyridyl-(1,2,3)- triazole (Ln) and two chloride ions as ligands, with the Cu–N(pyridine) bonds, Cu–N(triazole) and Cu–Cl bonds trans to each othe

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Publication Date
Sun Oct 02 2011
Journal Name
Journal Of The Faculty Of Medicine Baghdad
The expression of Matrix metalloproteinase-2 and cyclooxygenase-2 by immunohistochemistry in patients with colorectal carcinoma

Background: Human colorectal carcinogenesis is a complex, multistep and multigenetic process. Matrix metalloproteinase-2 and cyclooxygenase-2 are key enzyme in degradation of extracellular material, are over expressed in several epithelia like colorectal adenocarcinoma.
Objectives: This study was designed to detect the expression of matrix metalloproteinase-2 and cyclooxygenase-2 in patients with colorectal carcinoma and their correlation with age, gender, tumor grade and presence or absence of muscle invasion.
Materials and methods: Immunohistochemical staining of MMP-2 and COX-2 was determined in 40 tissue samples from colorectal patients, from teaching laboratories in Baghdad medical city. In additi

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Publication Date
Fri Dec 01 2023
Journal Name
Chemical Methodologies
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Publication Date
Sat Jan 01 2022
Journal Name
Int. J. Nonlinear Anal. Appl.
Publication Date
Sun May 26 2019
Journal Name
Iraqi Journal Of Science
On H-µ-supplemented modules

Weosay thatotheosubmodules A, B ofoan R-module Moare µ-equivalent , AµB ifoand onlyoif <<µand <<µ. Weoshow thatoµ relationois anoequivalent relationoand hasegood behaviorywith respectyto additionmof submodules, homorphismsr, andydirectusums, weaapplyothese resultsotoointroduced theoclassoof H-µ-supplementedomodules. Weosay thatoa module Mmis H-µ-supplementedomodule ifofor everyosubmodule A of M, thereois a directosummand D ofoM suchothat AµD. Variousoproperties ofothese modulesoarepgiven.

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