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Calculation of Stabilization Energy of Tetrahedrane with its Nitrogen Substituted Derivatives by DFT Method and Driving an Empirical Relation Connect it with Charge Functions of the Molecule
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In this work the strain energy of tetrahedrane and its nitrogen substituted molecules were calculated by isodesmic reaction method according to DFT quantum chemical fashion, the used basis set was 6-31G/B3-LYP, in addition all structures were optimized by RM1 semi-empirical method. From the obtained data we estimate an empirical equation connect between strain energy of the molecule with charge functions represented by dipole moment of the molecule plus accumulated charge density involved within the tetrahedron frame plus the number of nitrogen atoms. The results indicate the charge spreading factors by polarization and processes are the most important factors in decreasing the strain energy.

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Publication Date
Fri Jun 28 2024
Journal Name
Medicine
The radio anatomical arrangement of nerve roots at L3 level in cauda equina sac is it affected by diseases?
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An observational study to discover the common conditions affecting the lumbosacral region that may affect lumbosacral position and tension. All the patients, underwent MRI exaamination (magnetic resonance imaging) in the supine position, were examined by the same consultant radiologist. The article was revised by the institutional ethical approval committee. The position of the nerve roots was observed, and the number of nerve roots was calculated anterior to a line passing between the mid-transvers process of L3(third lumbar vertebra). The number of nerve roots ahead of this line was calculated by the radiologist at the level of the right intervertebral foramen and at the left one. This procedure was applied to the normal group, an

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Publication Date
Sat Oct 01 2016
Journal Name
Journal Of Engineering
Architecture Between Mind and Empirical Experience
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The research aims to identify the level of balance in the architectural thought influenced by the rational type human consciousness, the materialistic based on the Empirical type, moral based on human experience as source of knowledge.

This was reflected in architecture in the specialized thought that the mind is the source of knowledge which explains the phenomena of life. The rational approach based on objectivity and methodology in (Form Production), the other approach is based on subjectivity in form production (Form Inspiration).

The research problem is that there is imbalance in the relationship between the rational side and the human experience in architecture, which led into imbalance between theo

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Publication Date
Fri Oct 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Calculation of The Fill Factor of N749/〖TiO〗_2 Solar Cells
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        In this paper, the fill factor of the N749/TiO2 solar cell is studied and calculated using the analysis method at standard conditions; i.e., T=300k  and  100 mW/cm2 irradiation.. The current density was derived and calculated using the donor-acceptor model according to the quantum transfer theory in DSSC solar cells. We estimate the influence parameters in DSSC that's an equivalent circuit to the I-V curves for three solvents. The fill factor parameters of the N749/TiO2 device are found to be 0.137,0.146 and 0.127 with Butanol, Ethanol           and Acetonitrile for carrier concentration .  1018 1/cm3 respectively. The photovoltaic characteristics ISc  , Vco<

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Publication Date
Tue Jan 01 2019
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees19gr
Theoretical study for the calculation of some attenuation parameters of polymeric composites
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Publication Date
Sun Jul 01 2018
Journal Name
Vacuum
Stability, electronic and vibrational properties of GaAlN wurtzoid molecules and nanocrystals: A DFT study
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Publication Date
Mon May 20 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Convergence Comparison of two Schemes for Common Fixed Points with an Application
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      Some cases of common fixed point theory for classes of generalized nonexpansive maps are studied. Also, we show that the Picard-Mann scheme can be employed to approximate the unique solution of a mixed-type Volterra-Fredholm functional nonlinear integral equation.

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Publication Date
Thu Jan 10 2019
Journal Name
Journal Of The College Of Education For Women
Tribal separation and its relation to the organization of the community from the point of view of tribal sheikhs Field study in the City of Baghdad Sadr City model))
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One of topics that occupied alarge area  in Iraqi  society  at the moment is the  issue( of tribal  separation and its  relation  to the organization of  the community ) so we see in the civilizations and heritage  of each community aset  of provisions and laws that take the form of status   customary or religious it is indicative of the great interest in Iraqi society in cotrolling the behavior of individuals to comply with values and social laws and become their behavior is consistent with the behavior of the total and adhere to the social values and be productive individuals within  the subject and this can only be  achieved  from the social co

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Publication Date
Wed Jan 01 2020
Journal Name
Advances In Intelligent Systems And Computing
Forecasting by Using the Optimal Time Series Method
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Publication Date
Sun Apr 16 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Calculation of Binding Energies for Even-Even Mg(A=20,22,28 And 30) Isotopes
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The rotational model symmetry is a strong feature of 1d shell nuclei, where symmetry breaking spin-orbital force is rather weak. The binding energies and low-lying energy spectra of Mg (A=20,22,28 and 30) even-even isotopes have been calculated. The interaction used contains the monopole-monopole, quadrupole-quadrupole and isospin dependent terms. Interaction parameters are fixed so as to reproduce the binding of 8 nucleons in N=8 orbit for Z=12 isotope.
 

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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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