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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
Sun Dec 01 2024
Journal Name
Energy Storage
Comprehensive Study of <scp>PAN</scp>‐<scp>NaBF<sub>4</sub></scp> Solid Polymer Electrolytes: Insights Into Optical, Structural, Thermal, Electrical, and Electrochemical Properties for Sodium‐Ion Batteries
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ABSTRACT<p>This research explores the use of solid polymer electrolytes (SPEs) as a conductive medium for sodium ions in sodium‐ion batteries, presenting a possible alternative to traditional lithium‐ion battery technology. The researchers prepare SPEs with varying molecular weight ratios of polyacrylonitrile (PAN) and sodium tetrafluoroborate (NaBF<sub>4</sub>) using a solution casting method with dimethyl formamide as the solvent. Through optical absorbance measurements, we identified the PAN:NaBF<sub>4</sub> (80:20) SPE composition as having the lowest energy band gap value (4.48 eV). This composition also exhibits high thermal stability based on thermogravimetric analysis results. </p> ... Show More
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Publication Date
Wed Jan 01 2020
Journal Name
Hawiyyah Journal
Translation and Paratext
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Publication Date
Wed Jan 01 2020
Journal Name
Hawiyyah (identity) Journal
Frued and Sufisim
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Publication Date
Fri Jul 01 2016
Journal Name
Al–bahith Al–a'alami
Semiotics and Communication
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Verbal Communication is linked with the social event no matter how different Communities in their cultures and styles of living and it's intuitions and political systems remain involved in its need . It is a dialogue , a pillar of human Communication , all Communication process conditional on the where a bouts of the shrine and the cycle of words . Semiotics is based on two principles important to Communicate : one : offer intended to report to the speaker . And the other : The recipient of the message a (know led gment of this intent . And learn to measure intent rely on two types of units ; first is the evidence for which is available for reporting the intent and the other : Signals . semiotics Communicate evidence bother as a channel

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Publication Date
Wed Dec 30 2015
Journal Name
College Of Islamic Sciences
Violence and Islam
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Most of the texts of Islamic law provide for the payment of damage and the denial of the human ... Damage of all kinds of material and moral, which is in the harm that affects the human being in himself or his offer or money or other affairs respected by Sharia. A person can defend himself, his mind, his religion, his offer and his money (the five imperatives) as much as he can. Islam rejects violence directed without a legitimate right and does not endorse aggression against others. Violence has been defined in language as a lack of compassion or against it or is a reprimand, bashing, and the blame ... It is in psychology: human behavior tainted by cruelty, oppression, and aggression, and is defined politically: it is deliberate civil d

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
synthesis and characterization
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chloride or poluacrulic acid with different primary amines to mesuring==================================638one hundred three patinents with rheumatic symptoms were include in this study and their sera tested for

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Publication Date
Thu Feb 17 2022
Journal Name
Journal Of Discrete Mathematical Sciences And Cryptography
Calculation for the groups
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Publication Date
Wed Jan 01 2020
Journal Name
Materials Science And Engineering
Gravel Sampling for Testing
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Abstract<p>Sampling is the selection of a representative portion of a material, and it’s as important as testing. The minimum weight of gravel field or lab sample depends on the nominal maximum particle size. The weight of the sample will always be greater than that portion required for testing. The approximate precision desired for the testing will control the weight of the gravel sample. In this study, gravel sample has been simulated by using multilinear approximated function for Fuller’s curve on the logarithmic scale. Gravel particles are divided into classes according to their medium diameter and each class was simulated separately. A stochastic analysis, by using 100 realizations in s</p> ... Show More
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Publication Date
Sun Sep 30 2012
Journal Name
College Of Islamic Sciences
Subject matter  for speakers
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Praise be to God, Lord of the worlds, and prayers and peace be upon our master Muhammad and upon his family and companions as a whole.
    The topic of attention was drawn to the attention of the speakers, as it made me ponder it carefully, and my goal in that is to know the reason for the interest of the speakers and their care for it, and to clarify from their books the purpose of making this topic one of the advanced investigations with them.

     The idea of ​​writing a paper on the subject of consideration was not absent from my thinking, because I saw the attention of speakers on this issue, as they made it one of the first issues that they deal with studying in their work

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Publication Date
Sun Jan 01 2023
Journal Name
In Press
Man’s Search for Meaning
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