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.
The aim of this study to evaluate the effects of die holes diameter and speed of die on the performance of machine and feed pellet quality. Machine productivity (Kg.h-1), consumed power (kW), pellet durability (%) and pellet bulk density (g.cm-3) was studied. The study factors consisted of three diameter of die holes (3, 4, and 5 mm), and three speeds die (280, 300, and 320 rpm). Results showed with increasing of die holes diameter from 3 to 4 and to 5 mm give a significant increase in machine productivity, while consumed power, pellet durability and pellet bulk density a significant decreased. By increasing the die speed, from 280 to 300 then to 320 rpm, the machine productivity increased significantly, while consumed power, pellet durabil
... Show MoreKlebsiella pneumoniae are Gram-negative which cause many diseases such as urinary tract infections, respiratory tract infections and septicemia. Inulinase is an enzyme used in food manufacture and pharmaceuticals. Inulinase is used in decreasing lipid ratio and, cholesterol in blood and considered as a prebiotic factor inside intestine. Many microorganisms can produce inulinase, such as yeast, fungi and bacteria; among such bacteria: Bacillus spp., Arthrobacter spp., and Pseudomonas spp. but there are no studies about inulinase production by K. pneumoniae have been reported. So the current study aims at investing the ability of producing and purification inulinase by K. pneumoniae. Method: K. pneumoniae were isolated from many hospitals and
... Show MoreThe reason for studying (The secret of Repentance and Confession in Christianity) goes back to the deep roots of repentance in all religions, specially the three revealed religions, and those who adhere to them. The human psych by nature is incessantly demanding sins and the wrong deeds. It is in need of repentance which God has opened for them. Almighty God is happy when his creatures repent and refrain from sinning. This is the reason for success in life and the hereafter and the principle of the happiness. It is also a condition for the good course. Therefore, man should refrain from sinning and feel regret for committing sins forever.
This paper is an attempt to demonstrate the syntactic behavior of -ly adverbs and -ly adjectives. It mainly deals with -ly as an inflectional suffix that forms adverbs and adjectives It is hypothesized that there are differences between adjective-forming –ly and adverb-forming –ly.The researcher first made general and specific observations about the morphological processes of -ly adverbs and -ly adjectives. Since the study focuses on a linguistic phenomenon, its data is a set of -ly adverbs and -ly adjectives used as examples to support the hypothesis. The importance of studying the syntactic behavior of -ly stems from the fact that thousands of English adjectives and adverbs are created by adding the suffix "-ly" to their roots
... Show Morethe structrual and mechanical properties of thin Ni films of different thicknesses deposited on coring glass substrate using lonbeam sputtering(IBS) technique under vacuum torr have been studied the TEM and electron
Perhaps masculinity and femininity in our Arabic language are among the linguistic issues that have occupied the attention of researchers, ancient and modern. Many books, works, and research have been written on this subject, but there is still something in it that must be revealed, clarified, and established, as the ancients did not classify the feminine and masculine into real, metaphorical, auditory, analogical,
This research for university students dialectic unemployment and work, focusing on
serious discussion, accurate and provide opinions between specialists and those interested in
the university youth issues and identify them in the light of the dialectical relationship
between unemployment and work for the purpose interpreted accurate and access to reality
without coverage and linked to the movement of the changing society now and the situation
that is happening in Iraq, where the loss of the safety and the weakness of the determinants of
economic well-being and the decline of public and social health and the unemployment rate
security in the heart of - programs - and blocs parties that Tgtill public opinion in any
The neighbourhood unit is a small local community in a city dwelled by certain number of dwellers who are characterized by common features, mostly economic. They daily deal with each other & unified with the feeling of neighbourhood. The daily primary services are available in this small community (like education, shopping & entertainment). This community is separated from other communities by physical boundaries like streets, gardens… etc. The neighbourhood is not an exotic notion on human community but it is as ancient as history itself since it was there in ancient communities that dwelled on earth. Complications of urban life needs, caused by cities’ expansion, and the weakness of social relationships, imposed phy
... Show Moreconsideration
In the purposes of faith and destiny
Eat this research study features Technical Ceramics Islamic and Chinese The study of four chapters , such as the first chapter the general framework for research and containing the problem that put the following question: Mamdy effect features art on porcelain Islamic and Chinese ) , and whether there are dimensions of the aesthetic , intellectual and ideological in porcelain Islamic and Chinese with lies the importance of research in the promise of a qualitative study and add a scientific theme features art in porcelain Islamic and China , and the objectives of this study One was in the detection of features technical Ceramics Islamic and Chinese study examined the length of time the ninth century AD , and the tenth century AD , and in
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