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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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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
Sat Jan 01 2022
Journal Name
Swinburne University Of Technology
Numerical Modeling of Flow through Foam Nodes in the Presence of Solid Particles for Foams within the Dry Limit and for Foams that are Approaching the Wet Limit
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Publication Date
Sun Jan 01 2023
Journal Name
International Journal Of Physiology, Nutrition And Physical Education
The effect of effort perception training according to race speed rhythm control for developing speed endurance, adapting maximum heart rate, and achieving 3000 m running/hurdles for men
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Publication Date
Wed Dec 25 2019
Journal Name
Separation Science And Technology
Green synthesis of graphene-coated sand (GCS) using low-grade dates for evaluation and modeling of the pH-dependent permeable barrier for remediation of groundwater contaminated with copper
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Publication Date
Wed Mar 30 2022
Journal Name
Journal Of Educational And Psychological Researches
The Degree of Availability of Moral Values in the Arabic Language Textbook (Al-Mu’nes) For Grades Eleven and Twelve For Post-Basic Education in The Sultanate of Oman
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          The current study aimed to reveal the moral values available in the Arabic language textbook (Al-Mu’nes) for   grades eleven and twelve for post-basic education in the Sultanate of Oman. The researcher adopted the descriptive approach using the sentence as measuring unit in the analysis process. The five fields of moral values and their subcategories values represented the categories of the analysis. Iterations of values and the percentages of iteration were calculated in those textbooks. Moreover and the analysis and stability of the process were confirmed.

         After referring to previous studies, it was possible to de

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Publication Date
Thu Aug 31 2023
Journal Name
Journal Of Kufa For Mathematics And Computer
Hiding a Secret Message Encrypted by S-DES Algorithm
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Nowadays, it is quite usual to transmit data through the internet, making safe online communication essential and transmitting data over internet channels requires maintaining its confidentiality and ensuring the integrity of the transmitted data from unauthorized individuals. The two most common techniques for supplying security are cryptography and steganography. Data is converted from a readable format into an unreadable one using cryptography. Steganography is the technique of hiding sensitive information in digital media including image, audio, and video. In our proposed system, both encryption and hiding techniques will be utilized. This study presents encryption using the S-DES algorithm, which generates a new key in each cyc

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Publication Date
Fri Feb 08 2019
Journal Name
Journal Of The College Of Education For Women
Software Protection by Combining Hash Function with Hardware Identifications
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This paper presents a hybrid software copy protection scheme, the scheme is applied to
prevent illegal copying of software by produce a license key which is unique and easy to
generate. This work employs the uniqueness of identification of hard disk in personal
computer which can get by software to create a license key after treated with SHA-1 one way
hash function. Two mean measures are used to evaluate the proposed method, complexity
and processing time, SHA-1 can insure the high complexity to deny the hackers for produce
unauthorized copies, many experiments have been executed using different sizes of software
to calculate the consuming time. The measures show high complexity and short execution
time for propos

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Publication Date
Wed Oct 06 2021
Journal Name
Periodicals Of Engineering And Natural Sciences (pen)
Image segmentation by using thresholding technique in two stages
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Publication Date
Sun Mar 13 2011
Journal Name
Baghdad Science Journal
Lead bioremoval by Bacillus spp. Isolated from industrial wastewater
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Four samples were collected from the wastewater of State Battery Manufacturing Company (SBMC); Babylon 2 factory in AL-Waziriya district, as triplicates. Physical and chemical measurements were carried out such as temperature, pH, Lead concentrations and their ranges were: (19.5-34.5) °C, (6.1-6.4) and (4.5-6.5) mg/L, respectively. Six dominant Bacillus spp. isolates were isolated from these samples; namely, Bacillus subtilis N1, Bacillus subtilis N2, Bacillus subtilis N3, Bacillus cereus N4, Bacillus cereus N5 , Bacillus cereus N6. These isolates were capable of removing Lead from aqueous solutions in a capacity reached 27.6 ± 1.4, 10.1 ± 1.7, 74.5 ± 0.7, 8.93 ± 2.8, 8.1 ± 3.5, 1.6± 0.7 mg/L, respectively. Whereas cell walls,

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Publication Date
Sat Jun 06 2020
Journal Name
Journal Of College Of Education For Women
Main Difficulties Faced by EFL Students in Language Learning
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Many undergraduate learners at English departments who study English as a foreign language are unable to speak and use language correctly in their post -graduate careers. This problem can be attributed to certain difficulties, which they faced throughout their education years that hinder their endeavors to learn. Therefore, this study aims to discover the main difficulties faced by EFL students in language learning and test the difficulty variable according to gender and college variables then find suitable solutions for enhancing learning. A questionnaire with 15 items and 5 scales were used to help in discovering the difficulties. The questionnaire was distributed to the selected sample of study which consists of 90 (male and female) stud

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Publication Date
Sun Mar 30 2003
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Reduction of Aromatic Content from Hexane by Silica Gel
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