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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods

A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Tue Jan 04 2022
Journal Name
Iraqi Journal Of Science
Text Compression & Encryption Method Based on RNA and MTF

The sending of information at the present time requires the speed and providing protection for it. So compression of the data is used in order to provide speed and encryption is used in order to provide protection. In this paper a proposed method is presented in order to provide compression and security for the secret information before sending it. The proposed method based on especial keys with MTF transform method to provide compression and based on RNA coding with MTF encoding method to provide security. The proposed method based on multi secret keys. Every key is designed in an especial way. The main reason in designing these keys in special way is to protect these keys from the predication of the unauthorized users.

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Publication Date
Tue Dec 01 2015
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
UPDATED LIST OF AMPHIBIANS AND REPTILES IN IRAQ 2014

    The present work provides a list of all amphibians and reptiles recorded from Iraq up to 2014. It includes 115 species (105 species of reptiles and 10 species of amphibians) dating back to 25 families (20 families of reptiles and 5 families of amphibians). Conservation status of each species was mentioned.

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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Anatomical and Palynological study of Ricinus communisL.from Euphorbiaceaein Iraq

  The anatomical study showed the epidermis leaves of Ricinus communis L.glabrous and withparacytic pattern, also the midrib of leavescomposedfrom a pyramidal shapearea with a circular tip like ascamel humpfrom the upper side consisting of supported collenchyma tissue, and the cross section of leaf petiole formed as an ovate shape as for the cross section of stem was a circular, also observed many druces crystaland aleuron grains that are spread in the cortex area. Pollen grain appeared under a scanning electron microscope that tricolporate, either the surface pattern was reticulate and the shape of pollen grain prolate spheroidal to subprolate

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Publication Date
Thu Jan 30 2020
Journal Name
Al-kindy College Medical Journal
Diabetic Patients Knowledge and Practice Regarding Annual Visual Checking

Background: Diabetes mellitus (DM) is a significant cause of visual impairment; many diabetics do not have regular eye examinations, although it is known that early diagnosis and reduces the risk of blindness. There were many barriers that prevent diabetics from attending eye clinics.

Objectives: To assess knowledge, and practice about ocular complications among diabetic patients and to determine barriers preventing the diabetic patients annual visual checking

Methods: A cross-sectional study involving the interview was conducted among 300 diabetic patients attending out patient in Ibn Al Haitham Teaching Ophthalmology Hospital between November 2017 and June 2018.

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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Toxicological and Physiological Effects of DDT on Caenorhabditis elegans

Toxicity assays were used in this study to test how DDT affects lethality and brood size of Caenorhabditis elegans (C.elegans) by exposing them to various concentrations of this agent. These nematodes have provided a very informative system that was utilized to study the behavioural and physiological processes. The results showed that DDT affected the lethality in a dose-dependent manner, but 100% kill was not achieved with concentration tested. Whereas, sodium azide, positive control does have an effect on C. elegans and significantly inhibiting lethality (LC50 0.01mM).  Similarly, DDT led to a pronounced effect in brood size of C.elegans compared to the mean brood size recorded for the control (0.1% DMSO). Sodium azide results sho

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Publication Date
Fri Feb 01 2019
Journal Name
Journal Of The College Of Education For Women
Words worth and the Intention of AL. Sayyab Discourse

Words worth and the Intention of AL. Sayyab Discourse

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Publication Date
Wed Aug 01 2018
Journal Name
Journal Of Economics And Administrative Sciences
Privatization Thesis and its trends in Iraq after 2003

The concept of privatization is built on the basis of the transfer of assets and services of the public sector to the private sector this concept has appeared in the eighties of the last century whene the high oil prices took place and recession solution swept the world Which called for the freedom of the market and left the room for the private sector to take the initiatine in economic activity.         Both the IMF have   adopted this thesis in their programs of the structural adjustment in light of external and internal factors helped to Create the conditions to accept thesis that under the pretext of achieving a number of economic goals.

In Iraq in spite of

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Publication Date
Sun Dec 10 2017
Journal Name
Al-academy
Form and function in the design of intellectual toys

Playing is the only common language among children in every place and time, to the fact that what distinguishes the children is their quest to play and fun way innate, not acquired, which is expressed with the child really is one of the rights. And play a key entrance to the growth of the child mentally, intellectually and cognitively and not for the child emotionally and socially just. In the play the child begins to identify and classify objects and learn concepts and circulate among themselves on a linguistic basis. Activity here and play a major role in leading the linguistic development of the child in the composition has the communication skills.

The Games (especially intellectual ones) Whatever the cause of the development

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Publication Date
Wed Jan 01 2020
Journal Name
Italian Journal Of Pure And Applied Mathematics
Duality of St-closed submodules and semi-extending modules

The main goal of this paper is to dualize the two concepts St-closed submodule and semi-extending module which were given by Ahmed and Abbas in 2015. These dualizations are called CSt-closed submodule and cosemi-extending mod- ule. Many important properties of these dualizations are investigated, as well as some others useful results which mentioned by those authors are dualized. Furthermore, the relationships of cosemi-extending and other related modules are considered.

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Publication Date
Fri Apr 10 2015
Journal Name
Arabian Journal Of Geosciences
Radiological assessment of Iraqi phosphate rock and phosphate fertilizers

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