Preferred Language
Articles
/
EBZ7oooBVTCNdQwC5qJW
Tubular Magnetic Shielding Scan (TMSS): A New Technique for Molecular Space Exploration. (i) The Case of Aromaticity of Benzene and [<i>n</i>]Paracyclophanes
...Show More Authors

Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.

Scopus Clarivate Crossref
View Publication
Publication Date
Tue Jan 01 2019
Journal Name
Iraqi Journal Of Agricultural Sciences
A review: Behavior of pitting corrosion in manufacturing food equipment
...Show More Authors

Preview PDF
Scopus (1)
Scopus
Publication Date
Fri Apr 07 2017
Journal Name
Marine Georesources &amp; Geotechnology
Vertical vibration capacity of a single pile in dry sand
...Show More Authors

View Publication
Scopus (16)
Crossref (12)
Scopus Clarivate Crossref
Publication Date
Tue Jun 01 2021
Journal Name
International Journal Of Nonlinear Analysis And Applications
Bayes estimators of a multivariate generalized hyperbolic partial regression model
...Show More Authors

View Publication
Scopus (1)
Scopus
Publication Date
Thu Dec 01 2016
Journal Name
Journal Of Cleaner Production
A study of biogas production from date palm fruit wastes
...Show More Authors

View Publication
Scopus (41)
Crossref (38)
Scopus Clarivate Crossref
Publication Date
Fri Aug 06 2021
Journal Name
Annals Of The Romanian Society For Cell Biology
Versatile Applications of Complexes with Some Lanthanide Elements: A Review
...Show More Authors

Cerium (III), Neodymium (III) and Samarium (III) Complexes existent a wide range of implementation that stretch from their play in the medicinal and pharmaceutical area because of their major significant pharmacological characteristic such as antifungal, anti-cancer, anti-bacterial ,anti-human immunodeficiency virus ,antineoplastic, anti-inflammation,inhibition corrosion,in some industrial (polymers, Azo dye).It is likely to open avenuesto research among various disciplines such as physics, electronics, chemistry and materials science by these complexes that contain exquisitely designed organic molecules.This paper reviews the definition, importance and various applications of Cerium (III), Neodymium (III) and Samarium (III) Complexe

... Show More
Publication Date
Tue Oct 08 2024
Journal Name
Cureus
Orbital Langerhans Cell Histiocytosis: A Systematic Review of 228 Cases
...Show More Authors

View Publication
Crossref
Publication Date
Wed Jun 01 2022
Journal Name
Baghdad Science Journal
Darboux Integrability of a Generalized 3D Chaotic Sprott ET9 System
...Show More Authors

In this paper, the first integrals of Darboux type of the generalized Sprott ET9 chaotic system will be studied. This study showed that the system has no polynomial, rational, analytic and Darboux first integrals for any value of . All the Darboux polynomials for this system were derived together with its exponential factors. Using the weight homogenous polynomials helped us prove the process.

View Publication Preview PDF
Scopus Clarivate Crossref
Publication Date
Sun Aug 13 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Characteristic Behavior of Ion Acoustic Wave in A dusty Plasma
...Show More Authors

In this research, we make an attempt to derive theoretically 1-D linear dispersion relation of ion-acoustic waves in uniform unmagnetized dusty plasma valid in the long wavelength limits. This equation matched previously special equation of acoustic modes of a general form in magnetized dusty plasma.  Depending on previously mentioned experimental data, we numerically consider various parameters that affect the properties of these waves in   dusty plasma. The study has shown that the presence of dust grains is to modify the properties of ion acoustic waves and affect the behavior of the plasma in which they are immersed.  

View Publication Preview PDF
Publication Date
Sat Dec 31 2022
Journal Name
Mathematical Modelling Of Engineering Problems
Investigation of Energy Efficient Clustering Algorithms in WSNs: A Review
...Show More Authors

In recent years, Wireless Sensor Networks (WSNs) are attracting more attention in many fields as they are extensively used in a wide range of applications, such as environment monitoring, the Internet of Things, industrial operation control, electric distribution, and the oil industry. One of the major concerns in these networks is the limited energy sources. Clustering and routing algorithms represent one of the critical issues that directly contribute to power consumption in WSNs. Therefore, optimization techniques and routing protocols for such networks have to be studied and developed. This paper focuses on the most recent studies and algorithms that handle energy-efficiency clustering and routing in WSNs. In addition, the prime

... Show More
View Publication
Scopus (7)
Scopus Crossref
Publication Date
Mon Jun 05 2023
Journal Name
Journal Of Engineering
A Fuzzy Logic Controller Based Vector Control of IPMSM Drives
...Show More Authors

This paper explores a fuzzy-logic based speed controller of an interior permanent magnet synchronous motor (IPMSM) drive based on vector control. PI controllers were mostly used in a speed control loop based field oriented control of an IPMSM. The fundamentals of fuzzy logic algorithms as related to drive control applications are illustrated. A complete comparison between two tuning algorithms of the classical PI controller and the fuzzy PI controller is explained. A simplified fuzzy logic controller (FLC) for the IPMSM drive has been found to maintain high performance standards with a much simpler and less computation implementation. The Matlab simulink results have been given for different mechanical operating conditions. The simulated

... Show More
View Publication Preview PDF
Crossref