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Topology Molecular Indices Relationship of Electronic Properties of N-Alkanes and Branched Alkanes

    Eight electronic properties; HUMO, LUMO, HOMO-LUMO energy gap, dipole moment point-charge, dipole moment hybrid, molecular weight, heat of formation and zero-point energy of 60 normal and branched alkanes were examined using topology molecular indices. All the electronic properties were calculated using semi-empirical self-consistent molecular orbital theory. The relationship of electronic calculation properties with seven models of topology indices based on degree and/or distance were obtained in terms of their correlation, regression and principal component analysis. Most of the properties were well-modelled (r2 > 0.82) by topology molecular indices except the dipole moment point-charge and hybrid. The PCA resulted in 7 properties and 60 structures of alkanes that produced two principal components with eigenvalues of greater than 1. The first principal component explained 60.388%, while the second principal component explained 26.457%, bringing a cumulative value of 86.845% to the data variation.

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Publication Date
Sun Jun 05 2011
Journal Name
Baghdad Science Journal
A Study of Some Physical Properties for Binary System of Cyclohexane with n-decane and 1-pentanol at Different Temperatures

mixtures of cyclohexane + n-decane and cyclohexane + 1-pentanol have been measured at 298.15, 308.15, 318.15, and 328.15 K over the whole mole fraction range. From these results, excess molar volumes, VE , have been calculated and fitted to the Flory equations. The VE values are negative and positive over the whole mole fraction range and at all temperatures. The excess refractive indices nE and excess viscosities ?E have been calculated from experimental refractive indices and viscosity measurements at different temperature and fitted to the mixing rules equations and Heric – Coursey equation respectively to predict theoretical refractive indices, we found good agreement between them for binary mixtures in this study. The variation of th

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Publication Date
Tue Feb 13 2018
Journal Name
Chemistry Central Journal
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Publication Date
Wed Sep 01 2021
Journal Name
Baghdad Science Journal
Concentrations and Radiation Hazard Indices of Naturally Radioactive Materials for Flour Samples in Baghdad Markets

In the present work, Uranium (238U), Thorium (232Th) and Potassium (40K) specific activity concentration in (Bq/kg) was measured in five different types for wheat flours that are available in the Iraqi markets. The gamma spectrometry method with an NaI (Tl) detector has been used for radiometric measurements. Calculations of radium equivalent activity, annual effective dose equivalent, external hazard index (Hex), internal hazard index (Hin), representing gamma index and gamma dose rate in all  flour samples were 17.98132 Bq/kg, 0.0100334, 0.04502, 0.04857, 0.06872, 0.125883 and 8.181244 respectively. It is found that the average of specific activity concentration of wheat flour sam

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Publication Date
Thu Feb 24 2022
Journal Name
Journal Of Educational And Psychological Researches
Psychological effects of electronic games In children and adolescents

The proliferation of electronic games, video games and computers has caused children and teenagers to become attracted to these games and become their favorite entertainment. The widespread of these games has generated widespread debate about positive aspects and negative aspects. It is evident that there are two main trends in the impact of electronic games on the behavior of children and adolescents. The first trend is that e-games have positive effects on children and adolescents, especially in cognitive abilities and skills in learning. While the second view sees that electronic games have negative effects that appear in social isolation and lack of movement and aggression. Through the review of previous literature, the current resea

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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
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Publication Date
Tue Jun 20 2023
Journal Name
Baghdad Science Journal
Determination of Molecular Weight and Viscosity of Irradiated Polystyrene

 

The varied applications of polystyrene in various fields of life led to examining the cause of radiation influence on some rheological behavior of commercial Polystyrene (PS) solution in the chloroform (CHCl3) solvent. Polystyrene grains shape samples were irradiated using the radioactive element Cesium- 137 with (9 µci) activity for 10, 20, and 30 minutes. The viscosity of the polymer solution depends on the concentration and size (i.e. molecular weight) of the dissolved polymer. Experimental data showed that the radiation dose affected the value of viscosity (shear, relative, specific, and reduced). The viscosity value significantly reduced at 10 min radiation dose and when increasing the dose, the viscosity value increased

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Publication Date
Thu Feb 24 2022
Journal Name
Journal Of Educational And Psychological Researches
Addiction of electronic games for children

Childhood is characterized by ahigh privacy in the life of the child overall educational institutions in the world. Based on this specificity, modern education begins with a holistic vision of the child through all developmental aspects (moral, religious, emotional, social, linguistic, physical, health, and mental). This integration could be achieved through taking into consideration the needs and rights of children and developing curricula that consider these needs and capacities to provide opportunities for developing and supporting the developmental aspects of the child. The contemporary technological developments in the field of computer and the Internet have brought with it new forms, ideas, and problems for children in recent years

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Publication Date
Tue Jan 18 2022
Journal Name
Iraqi Journal Of Science
Origin of Dolomites in the Baluti Formation (Late Triassic), Galley Derash Area, N-Iraq: Petrography, Textural and Diagenetic Properties

Baluti Formation of the Rhaetian (Late Triassic) age is composed mainly of dolomite, the unit formed with dolomitic limestone, dolomitic breccias and limestone begins with gray or dark gray colored and sugar textured dolomitic limestones including micrite with shale horizons. Baluti Formation was deposited in carbonate platform, and slumped to deeper margins forming carbonate debrites and breccias of various types.
Petrographic examination of the dolomites reveals various crystal habits and textures of the dolomites. Planktonic bivalve, calcisphere and echinoid spicules were found in the Baluti Formation settled in deep-margin carbonate environment. Nine dolomite-rock textures were identified and classified according to the crystal-si

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Publication Date
Mon Feb 04 2019
Journal Name
Iraqi Journal Of Physics
Naturally occurring radioactive materials and related hazard indices in Ahdeb oil field

In this work, measurements of activity concentration of naturally occurring radioactive materials (NORM) isotopes and their related hazard indices for several materials such as crude oil, sludge and water in Ahdeb oil fields in Waste governorate using high pure germanium coaxial detection technique. The average values for crude oil samples were174.72Bq/l, 43.46Bq/l, 355.07Bq/l, 264.21Bq/l, 122.52nGy/h, 0.7138, 1.1861, 0.601 mSv/y, 0.1503mSv/y and 1.8361 for Ra-226, Ac-228, K-40, Ra eq, D, H-external and H-internal respectively. According to the results; the ratio between 238U to 232Th was 4, which represents the natural ratio in the crust earth; therefore, one can be strongly suggested that the geo-stricture of the

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Publication Date
Fri Jul 01 2016
Journal Name
Al–bahith Al–a'alami
Narrative and Electronic news Story: (Semiotic approach)

The e-news is one of the most important journalistic arts in new media (the Internet). The process of telling the story by the journalist is an important aspect of the communicative process between the users of the internet and the reporter. The electronic news is characterized by having text, fixed images, animations, videos and sound. All these give greater vitality to the communicative process and increase the semiotic dimensions. Also, it makes the narrative process more distinctive and embodied of the elements of the event. This research studies all these aspects and tries to show the distinction between the semiotics of narration and the electronic news.

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