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Determination of Relative Reactivity of HSAB Complexes Using DFT Theory

Based on the density functional theory (DFT) , the stability of molecular complexes has been predicted according to hard-soft acid base (HSAB) theory. Relative stability of products and reactivity of soft base sulfide derivatives with halogens (Iodine , Bromine , Chlorine) as soft acid was studied to determine the relative ability of these reactants causing the reaction to be more spontaneous.
DFT at the levels of B3LYP/3-21G and B3LYP/3-21G (d) was used to study HOMO LUMO energy gaps , bonds length and total energy to calculate the softness sequence of each type of acid or base mentioned in this work. All cases studied prove that iodine can be considered as the most softness acid and ethyl methyl sulfide≈ dimethyl sulfide the most softness bas

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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Influence of Irradiation on Electronic Transition of (CuO) Films Prepared by Chemical Spray Paralysis Technique

  In this  research,  We  study the effect  of  irradiation  by  gamma rays from (Cs137) source  for the period time (21) days on optical propertices such as absorption coeffeicient ()and  energy gap (Eg) for  copper oxides thin films (CuO) prepared by the chemical spray pyrolysis and deposited on glass substrates at (350oC) for two different thicknesses  (  1000Ã…and 3000Ã…) .

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Publication Date
Wed Jun 30 2004
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
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Publication Date
Tue Dec 01 2009
Journal Name
Journal Of Economics And Administrative Sciences
The moral dimension of generating and destroying value Through the implementation of the Balanced Scorecard

يسعى المجتمع من خلال الوحدات الإقتصادية إلى الوصول إلى تحقيق أفضل الإنجازات التي لا تتمثل بالسلع والخدمات حسب وإنما بما يتحقق من مردود لكافة الاطراف المعنية بالوحدات الإقتصادية على ان لايتم ذلك على حساب قيم المجتمع وأخلاقياته وآدابه العامة. وعليه تصبح الوحدات الإقتصادية مسرحاً لصراعات قوى متعددة كل منها له قيمه الأخلاقية سواء كان فرداً أومجموعة افراد أو وحدة إقتصادية أو أي جهة أُخرى، وبحكم مسؤولياته

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Publication Date
Sun Dec 04 2011
Journal Name
Baghdad Science Journal
Effect of Leaves and Fruits Ethanolic Extract of Duranta repens on Mosquito Culex pipens pipens

The study aimes to investigate the effects of leaves & fruits ethanolic extract of Duranta repens L. on biological performance for all stages of life cycle of the mosquito Culex pipiens piepiens L., For this purpose the mosquitoes were reared in the laboratory till the fourth generation .Different concentrations of leaves (800,1000,1200,1400ppm) and fruits (800,1000,1200ppm) were tested on (eggs,larval stages,pupal stages and the adult stages). The results revealed that the extracts gave highest mortality rate for the eggs at(100%) compared with control,fruits extract shown highest mortality rate of the four larval instars (100%)at 1200ppm compared with leave extract at(80,50,33.33,20%).Also the extract caused a high mortality rate for pupa

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Publication Date
Sun Nov 26 2017
Journal Name
Journal Of Engineering
The Dynamic Behavior of Water Flowing Through Packed Bed of Different Particle Shapes and Sizes

An experimental study was conducted on pressure drop of water flow through vertical cylindrical packed beds in turbulent region and the influence of the operating parameters on its behavior. The bed packing was made of spherical and non-spherical particles (spheres, Rasching rings and intalox saddle) with aspect ratio range 3.46  D/dp  8.486 obtaining bed porosities 0.396 0.84 and Reynolds number 1217  21758. The system is consisted of 5 cm inside diameter Perspex column, 50 cm long; distilled water was pumped through the bed with flow rate 875, 1000, 1125, 1250,1375 and 1500 l/h and inlet water temperature 20, 30, 40 and 50 ˚C. The packed bed system was monitored by using LabVIEW program, were the result

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Publication Date
Sat Mar 18 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Studying the Effect of Doping With Aluminum on The Optical Properties Of CdSe Thin Films

CdSe thin films were deposited on glass sudstrate by thermal evaporation method with thickness of (300±25%) nm with deposition rate (2±0.1) nm/s and at substrate temperature at (R.T.). XRD analysis reveals that the structure of pure thin films are Hexagonal and polycrystalline with preferential orientation (002). In this research ,we study the effect of doping with (1,2,3)% Aluminum on optical energy gap of (CdSe) thin film . The absorption was studied by using (UV - Visible 1800 spectra photometer ) within the wavelength (300-1100) nm absorption coefficient was calculated as a function of incident photon energy for identify type of electronic transitions it is found that the type of transition is direct , and we calculated the opt

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Publication Date
Sun Jul 04 2010
Journal Name
Journal Of The Faculty Of Medicine Baghdad
The Effect of Exposure to Formaldehyde Vapor on the Structure of Testes in the Rabbits.

Background: This study has been performed to detect any structural changes in the testes of rabbits that have been exposed to formaldehyde vapor.
Materials and Methods: Eighteen male rabbits has been used in this study, 12 of them were exposed to formalin vapor for 2 month, while the other 6 were exposed to the vapor of distilled water for 2 month too. All animals were killed at the end of experiments, and then pieces of testes were prepared for light microscopic examination. Sections were collected from the paraffin wax blocks and stained by H & E and finally examined by Olympus light microscope.
Results: Most of the seminiferous tubules from the formaldehyde exposed group were atrophied with no e

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Publication Date
Sun Sep 26 2021
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Diagnostic value of left ventricle strain pattern of hypertensive patients in coronary and cerebrovascular diseases

Association of Electrocardiographic Left Ventricular Strain Pattern with Coronary Artery Disease and Cerebrovascular Accident in Hypertensive Patients

Background: Patients diagnosed with hypertension and left ventricular hypertrophy could presented with electrocardiographic changes including criteria of left ventricular hypertrophy, and left ventricular strain pattern( fixed ST depression and T inversion in leads I, avL, V5&6)

Objective: To study the impact of electrocardiographic left ventricular strain pattern in hypertensive patient as predictor for coronary artery disease and cerebrovascular accident development.

Material and method: a cro

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Publication Date
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
Evaluation of an education program upon women's knowledge toward management of Breast Self – Examination(BSE)

To determine the evaluation of education program on women's knowledge regarding managing BSE. The present quasi- experimental study, Non-probability (purposive), sample consisting of (260) women who are employee, and students in both colleges (Nursing college, Medical and Health Techniques College). The sample consist of two groups, study group (130) including those in (Nursing college), and control group (130) in (Medical and Health Techniques College). A questionnaire was constructed which included, Demographic information, Reproductive information, Family history, Previous medical history, and information about women's knowledge toward management of breast self examination (BSE). Instrument validity and reliability was determined. Data w

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Publication Date
Sun Aug 13 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Diurnal Variation of Phytoplankton and Related Ecological Parameters of One Location in Habbaniya Lake, Iraq

   The presnty study included physical , chemical  and phycological study of choosen one station in  Habbaniya lake to investigat the diurnal variation at each hour along the 24 hours . Water temperature showed clear variations and coincided with the air temperature of study , Habbaniya Water was alkaline with pH more than 7 without clear diurnal variations . Conductivity , Total hardness , Calcium and Magnesium values showed no clear varitions . Chloride and Salinity values appeared relatively stable . The data showed a relative increasing in Dissolve oxygen values during the night hours.On the other hand the alkalinity and acidity values were unstable during the 24 hours of the study. According to the quantitative s

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