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Ab initio structural and vibrational properties of GaAs diamondoids and nanocrystals

Gallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d) level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for diamondoids having nearly equiaxed dimensions. Density of energy states transforms from nearly single levels to band structure as we reach larger diamondoids. Bonds of surface hydrogen with As atoms are relatively localized and shorter than that bonded to Ga atoms. Ga-As bonds have a distribution range of values due to surface reconstruction and effect of bonding to hydrogen atoms. Experimental bulk Ga-As bond length (2.45 Å) is within this distribution range. Tetrahedral and dihedral angles approach values of bulk as we go to higher diamondoids. Optical-phonon energy of larger diamondoids stabilizes at 0.037 eV (297 cm-1) compared to experimental 0.035 eV (285.2 cm-1). Ga-As force constant reaches 1.7 mDyne/Å which is comparable to Ga-Ge force constant (1.74 mDyne/Å). Hydrogen related vibrations are nearly constant and serve as a fingerprint of GaAs diamondoids while Ga-As vibrations vary with size of diamondoids.

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Publication Date
Tue Jan 01 2019
Journal Name
International Journal Of Civil Engineering And Technology
Prediction of bearing capacity, angle of internal friction, cohesion, and plasticity index using ANN (case study of Baghdad, Iraq)

In the last few years, the use of artificial neural network analysis has increased, particularly, in geotechnical engineering problems and has demonstrated some success. In this research, artificial neural network analysis endeavors to predict the relationship between physical and mechanical properties of Baghdad soil by making different trials between standard penetration test, liquid limit, plastic limit, plasticity index, cohesion, angle of internal friction, and bearing capacity. The analysis revealed that the changes in natural water content and plastic limit have a great effect on the cohesion of soil and the angle of internal friction, respectively. . On the other hand, the liquid limit has a great impact on the bearing capacity and

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Publication Date
Sat Jul 23 2016
Journal Name
Association Of Genetic And Environmental Resources Conservation (
Effect of cold and hot aqueous extract of garlic on the reproductive performance of immature male mice until puberty

This study was investigated the role of garlic extracts on the reproductive functions, via the development of immature male mice (25 days old) un l puberty. Immature male mice were divided into 3 groups (n=25). Group 1 "control" was daily administrated with tap water. Group 2 was daily administrated with cold aqueous garlic extract. Group 3 was daily administrated with hot aqueous garlic extract. Each group was randomly consisted of 5 subgroups (n=5/ subgroup) and administrated for different periods i.e, 1, 2, 3, 4 and 5 weeks respectively. Animals were scarified after 24 h from last treatment. Our findings elucidated that, cold and hot aqueous garlic extracts, when administrated at 25 days old (Immature period) have different impact dep

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Publication Date
Tue Jan 01 2019
Journal Name
Izvestiya Of Saratov University. New Series. Series: Philology. Journalism
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Publication Date
Tue Sep 27 2022
Journal Name
Journal Of Positive School Psychology .
The Explosive Capacity Of The Muscles Of The Two Men And Their Relationship To The Scoring Of Football Halls

The research dealt with its forefront a definition of the aspects of the study and its variables, the explosive capacity and its relationship to the scoring of football for the halls and highlights the importance of these variables, and the problem of the research consisted that some players fail to score Amie because of the weak power of shots or the slow scoring, so the researchers saw studying this problem and knowing the extent of the influence of the explosive strength During the performance of the skill of scoring with five football, the study aimed to identify the relationship between the explosive strength and the skill of scoring with five football. Researchers assume that there is a statistically significant relationship between t

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Publication Date
Tue Apr 01 2014
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Immunhistochemical exepression of ER/PR in cytological and histopathological preparation of infiltrative ductal carcinoma of breast: comparation clinicopathological study

Background: Breast cancer is the leading cause of cancer death among women worldwide and in Iraq.
Objectives: To evaluate the reliability of the immunocytochemical method in breast carcinoma aspirates with those obtained by immunohistochemistry of the corresponding excised breast tissue sections.
Patients and methods: This is a prospective study. A total of (41) patient complain from malignant breast lump and (10) cases with benign mass (fibro adenoma) visited the Oncology Teaching Hospital in the Medical City in Baghdad during the period from the first of April 2012 to the end of December 2012. FNA sample taken for routine cytopathological and immuncytological study and the patient where followed up and immunhistological study was

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Publication Date
Tue Jan 01 2019
Journal Name
Iraqi Journal Of Agricultural Sciences
Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Impact the quality of the food in the rates of malnutrition in the city of Baghdad and Baquba - Iraq

This research aims to identify the nutritional status of the individual's relationship to malnutrition using anthropometric measurements such as weight, height and impact on the values ??of the blood study sample included 200 male and 200 female of the inhabitants of the cities of Baghdad and Baquba reviewers Central Mahtbrat

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Publication Date
Sat Jan 01 2005
Journal Name
Journal Of The College Of Languages (jcl)
The Vogue of the Restoration Comedy of Manners and George Etherage's The Man of Mode; or, Sir Fopling Flutter

The Vogue of the Restoration Comedy of Manners and George Etherage's The Man of Mode; or, Sir Fopling Flutter

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Publication Date
Sun Jul 28 2019
Journal Name
Open Access Macedonian Journal Of Medical Sciences
Value of Combination of Standard Axial and Thin-Section Coronal Diffusion-weighted Imaging in Diagnosis of Acute Brainstem Infarction

AIM: To determine the value of the combination of thin-section 3 mm ‎coronal and standard ‎axial DWI and their impact in facilitating the diagnosis of ‎‎acute brainstem infarction. METHODS: A cross-sectional study conducted from the 1st of April 2017 to the end of February 2018 on 100 consecutive patients (66% were male, and 34% were female) with isolated acute ischemic infarction in the ‎brainstem. The abnormal MRI findings concerning the ischemic lesions were interpreted on standard axial 5 mm and thin-section coronal 3mm DWI. RESULTS: The mean age of the studied group was 69.2 ± 4.3 for male and 72.3 ± 2.5 years. The standard axial DWI can diagnose 20%, 6.7% and 6.7% of the infarctions in midbrain, pons an

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Publication Date
Sun Oct 03 2010
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Effect of the addition of bio-polymer lignin on the Transverse and Impact strength of the autopolymerizing acrylic resin.

Background: Acrylic resin dentures are susceptible to fracture; it is unresolved problem in prosthodontics. The repair procedure should be simple, strong, and accurate. This study evaluated the transverse and impact strength of autopolymerizing acrylic resin, the repair material was modified with kraft lignin as a new enforcement material and compared with the commercially available self cured acrylic resin.
Materials and Methods: The addition of kraft lignin to the acrylic resin were done in percentages of 0.25%, 0.5%, 0.75%, 1.0%, 1.25%, and 1.5% (wt%). Seventy specimens were made according to the ADA specification No 12 for transverse strength using three point bending test and Impact strength tes

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