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The formation, structure, and electronic properties of Lansoprazol drug and cucurbit [7]urils complex (Theoretical Study)
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The current study deals with host-guest complex formation between cucurbit [7] urils as host and lansoprazole as guesti using PM3 (semi empirical molecules orbital calculations) also DFT calculations. In this complex, the formation of hydrogen bonding may be occurred through portal oxygen atoms(O2) of cucurbit [7] urils and amine groups (NH 2 )of the drug. The energies of HOMO and LUMO orbital’s have been computed for the host guest complex and its components. The result of the stabilization energy explained a complex formation.

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Publication Date
Mon Feb 18 2019
Journal Name
Iraqi Journal Of Physics
Relative intensity distribution in the rotational structure for B1Σ+- A1Π and B1Σ+- X1Σ+ electronic systems of BeO molecule
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Theoretical spectroscopic study of  Beryllium Oxide has been carried out, Boltzmann distribution of P, Q and R branches in the range of (0<J<13) at temperature 4200K for (0-0) band for electronic transitions B1Σ+-A1Π and B1Σ-X1Σ. The Boltzmann distribution of these branches has a maximum values at equal J approximately while the values of relative population are different. For the B1Σ+- X1Σ+ transition the branch's lines extend towards lower wavenumber. This is because (Bv'-Bv") value is negative, i.e  Bv'< Bv" For B1Σ+-A1Π

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Publication Date
Fri Feb 01 2019
Journal Name
Journal Of Physics: Conference Series
Study the Electronic Properties of Boron Nitride Diamondiod Nanostructure using Ab-initio DFT
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Publication Date
Mon Jan 01 2018
Journal Name
Al–bahith Al–a'alami
The Interactive Relationship between the Formation Elements and their Implications in the Structure of the Television Image
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The image of television dominates the cognitive and artistic motivations. It is the formulation of ideas and visions along with its documentary ability. It is the main element in television work as it is a story that is narrated in pictures. Therefore, attention to image building is a major point of gravity in the work structure as a whole. On the image is the element carrying all aesthetic and expressive values of news and information directly to the hints that work to stimulate and stir the imagination of the recipient to evoke mental images added to the visual images to deepen the meanings.
All visual arts carry elements and components that follow in a particular pattern to give special meanings and specific connotations. However,

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Publication Date
Sun Dec 30 2018
Journal Name
Baghdad Science Journal
Electronic Structure of Copper Antimony Using Compton Scattering Technique
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In this paper we present the first ever measured experimental electron momentum density of Cu2Sb at an intermediate resolution (0.6 a.u.) using 59.54 keV 241Am Compton spectrometer. The measurements are compared with the theoretical Compton profiles using density function theory (DFT) within a linear combination of an atomic orbitals (LCAO) method. In DFT calculation, Perdew-Burke-Ernzerhof (PBE) scheme is employed to treat correlation whereas exchange is included by following the Becke scheme. It is seen that various approximations within LCAO-DFT show relatively better agreement with the experimental Compton data. Ionic model calculations for a number of configurations (Cu+x/2)2(Sb-x) (0.0≤x≤2.0) are also performed utilizing free a

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Publication Date
Fri Jan 01 2021
Journal Name
Materials Today: Proceedings
Study the electronic and spectroscopic properties of ALxB7-XN7 Wurtzoids as a function of size and concentration using density functional theory
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Publication Date
Mon May 08 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Sedimentary Structure and Determine the Diriction of the Old Current to the By Hassan Formation Northeast Iraq
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 This research deal the primary and secondary sedimentary structures in the By Hassan Formation in the three locations in the northeast of Iraq.          Can be recognize many geological structures such as cross bedding, planer bedding, graded bedding, channel structure and mud ball house deposit in the flood plain. The ether side this research study the direction of old current and sedimentary structure that made by the one direction current

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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study the Effect of Method of Preparing on the Structure Properties of (PbS) Thin Films
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    In this research we prepared PbS thin films with vacuum thermo evaporation process and  chemical spray pyrolysis.         Structure properties were studied for PbS thin films through (XRD) measurement. PbS thin films growth appear as Polycrystalline cubic and sharp peak with directional (200) then  calculated   Lattice constant (a) and the values are (5.9358)Ã… for (PbS) films prepared by thermo evaporation , (2.978-5.969 Ã…) for films prepared by chemical spray pyrolysis at temperature degree   (553K , 573K)  sequence .Then it was found that the grain size for (PbS) thin films prepared by thermo evaporation is (335.81)Ã… while the grai

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Publication Date
Wed Sep 27 2023
Journal Name
Korean Journal Of Materials Research
Preparation and Structure Properties of LaBa2Cu2O9, LaBa2CaCu3O12 and LaBa2Ca2Cu5O15 Perovskites
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In this study we examine variations in the structure of perovskite compounds of LaBa2Cu2O9, LaBa2CaCu3O12 and LaBa2Ca2Cu5O15 synthesized using the solid state reaction method. The samples’ compositions were assessed using X-ray fluorescence (XRF) analysis. The La: Ba: Ca: Cu ratios for samples LaBa2Cu2O9, LaBa2CaCu3O12 and LaBa2Ca2Cu5O15 were found by XRF analysis to be around 1:2:0:2, 1:2:1:3, and 1:2:2:5, respectively. The samples’ well-known structures were then analyzed using X-ray diffraction. The three samples largely consist of phases 1202, 1213, and 1225, with a trace quantity of an unknown secondary phase, based on the intensities and locations of the diffraction peaks. According to the measured parameters a, b, and c, every sa

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Publication Date
Sat Jan 01 2022
Journal Name
The 2nd Universitas Lampung International Conference On Science, Technology, And Environment (ulicoste) 2021
Study the effect of size variation and stability on the electronic and spectroscopic properties of BN wurtzoids- diamantane nanostructure via density functional theory
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Publication Date
Wed Jul 20 2022
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The New Complex Integral Transform "Complex Sadik Transform" and It's Applications
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In this paper, we introduce a new complex integral transform namely ”Complex Sadik Transform”. The
properties of this transformation are investigated. This complex integral transformation is used to reduce
the core problem to a simple algebraic equation. The answer to this primary problem can than be obtained
by solving this algebraic equation and applying the inverse of complex Sadik transformation. Finally,
the complex Sadik integral transformation is applied and used to find the solution of linear higher order
ordinary differential equations. As well as, we present and discuss, some important real life problems
such as: pharmacokinetics problem ,nuclear physics problem and Beams Probem

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