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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
Sat Jan 01 2022
Journal Name
Aip Conference Proceedings
Theoretical calculation of the electronic current at N3 contact with TiO2 solar cell devices
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In this study, a theoretical scenario has been used to calculate the electronic current in sensitizer N3 molecule contact to TiO2 semiconductor for electrons in functional solar cells. It is known to play an important role on the compute the eficiency of solar cell. Some parameters of electronic current such as the transition energy, driving force energy, barrier height coupling overlapping values are determined. Transition energy is a necessary parameter to calculate the electronic current in solar cell with using wide polarity solvents Acetic acid, 2-Methoxyethanol, 1-Butanol, Methyl alcohol, chloroform, N,N-Dimethylacetamide and Ethyl alcohol via the quantum donor-acceptor system. Here, we show the results of transition energy can be var

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Publication Date
Wed Mar 01 2023
Journal Name
Iraqi Journal Of Physics
Calculation Mars – Earth distance and Mars orbital elements with Julian date
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In this paper, the Mars orbital elements were calculated. These orbital elements—the major axis, the inclination (i), the longitude of the ascending node (W), the argument of the perigee (w), and the eccentricity (e)—are essential to knowing the size and shape of Mars' orbit. The quick basic program was used to calculate the orbital elements and distance of Mars from the Earth from 25/5/1950 over 10000 days. These were calculated using the empirical formula of Meeus, which depended on the Julian date, which slightly changed for 10000 days; Kepler's equation was solved to find Mars' position and its distance from the Sun. The ecliptic and equatorial coordinates of Mars were calculated. The distance between Mars and the center of the E

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Synthesis of substituted (oxazepine, Diazepine, tetrazde) via Schiff Bases for 2- Aminobenzo Thaizole Derivatives
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This work includs synthesis of several Schiff bases by condensation of 6- methoxy – 2- amino benzothiazole with some aldehydes and ketones (2- hydroxyl benzaldehyde, 4- hydroxyl benzaldehyde, 4- N,N –dimethy amino acetophenone, benzophenone) to abtain schiff bases (1-5). These schiff bases were found to react with phthalate anhydride to give oxazepine derivatives (6-10) that were reacted with primary aromatic amines to give Diazepine derivatives (11-15). Besides, we prepared new tetrazole derivatives (16-20) from the reaction of the prepared Schiff bases with sodium azide in the prepared compounds that were characterized by physical properties, FT-IR and some of the 1H-NMR and 13C –NMR spectroscopy.

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Publication Date
Sun Jul 01 2012
Journal Name
Journal Of Educational And Psychological Researches
Self Protection and it's Relation with the social ignorance OF UNIVERSITY STUDENTS
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The aim of this research is to find a relation between self-protection and the social - ignorance of the univresity students. In applying the aims of the reaearch, the ressearcher has constructed two scales to measure
self - protection and the social - ignorance. After finding their validity and stability and their discriminative power, the researcher has applied them on a sample of (200) male and female. University students, who were selected randomly. The results of the research has arrived at finding a positive relation between self-protection and social - ignorance.

The researcher has recommended a concentration on the role of parents in raising their childern depending on themselves and making f

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Publication Date
Sat Oct 12 2019
Journal Name
Journal Of The College Of Education For Women
Uncompleted Personality and it’s relation with Some Variables of the University Students
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Uncompleted Personality and it’s relation with Some Variables of the University Students

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Publication Date
Fri May 01 2020
Journal Name
International Journal Of Psychosocial Rehabilitation
Relationship of some fitness elements with the performance of lifting the iron ball (weight) by gliding method
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AS Muhsen, International Journal of Psychosocial Rehabilitation (1475-7192), 2020 - Cited by 1

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Publication Date
Tue Aug 04 2020
Journal Name
Indonesian Journal Of Pharmacy
Design and Synthesis of Novel Derivatives of 4-(6-(4-Substituted Phenyl)-7H-[1,2,4] Triazolo[3,4-b][1,3,4]Thiadiazin-3- yl) Phenol as a Potent Inhibitor of Tubulin with Antitumor Activity
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Publication Date
Tue Feb 12 2019
Journal Name
International Journal Of Biosciences
Biomechanical and histological assessment of titanium dental implants coated with strontium substituted hydroxyapatite and fluorapatite mixture
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Dental implants are considered a unique treatment alternative for the replacement of missing dentition. There is a strive for materials which increase bone formation in bone implant interface and improve osseointegration to offer immediate loading directly after placement with decreased time. The aim of the study was to assess the effect of nano strontium substituted hydroxyapatite and nano fluorapatite mixture coating of screw shaped commercially pure titanium at the bone implant interface by torque removal test and histological assessment in rabbit tibia. Commercially pure titanium was used to prepare 80 screws that were divided into machined surfaces (CpTi), coated with (SrHA), coated with (FA) and coated with mixture 50%SrHA + 50%FA (mi

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Publication Date
Fri Sep 26 2025
Journal Name
University Of Anbar Sport And Physical Education Sciences
Anxiety and its relationship to the performance of the front hand hop followed by an anterior spherical flip with a half lap on the jumping platform
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Publication Date
Mon Jul 01 2013
Journal Name
Journal Of Saudi Chemical Society
Synthesis, characterization and in vitro antimicrobial activity of some novel 5-substituted Schiff and Mannich base of isatin derivatives
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With the aim of developing potential antimicrobials, a series of novel Ciprofloxacin methylene isatin derivatives incorporating different aromatic aldehydes were synthesized and characterized by FTIR, 1H NMR, Mass spectroscopy and bases of elemental analysis. In addition, the in vitro antibacterial and antifungal properties were tested against some human pathogenic microorganisms by employing the disc diffusion technique. A majority of compounds were showing activity against several of the microorganisms. The relationship between the functional group variation and the biological activity of the evaluated compounds is discussed. From comparisons of the compounds, 3c was determined to be the most active compound.

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