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.
KE Sharquie, AA Noaimi, AA Al-Jobori, Journal of Cosmetics, Dermatological Sciences and Applications, 2012 - Cited by 1
Heat is one of the most energy forms emitted to atmosphere by industrial processes. Water is considered to be the best material to reduce heat energy since its available in nature in abundance and has the ability to absorb heat efficiently. Cooling towers are ideal alternatives to re-cool hot water instead of throwing it especially in places that lack natural water resources or when there are environmental precautions because water with high temperature would be harmful to the ecosystem when it recycled to natural resources such as rivers and lakes. Also, cooling towers considered economically feasible when using west water. This paper interests with hydraulic characteristics of a counter flow wet cooling tower which was investigated experi
... Show MoreAfter the fall of the Third Dynasty of Ur at the hands of the Elamites during the reign of its last ruler, King Ibi-Sin, the Amorites continued to flow more into Mesopotamia in the form of large migrations that established a number of contemporary and conflicting ruling dynasties that formed the Old Babylonian era. Among these dynasties was the Larsa dynasty, founded by King Nablanum in the city of Larsa. The fourth king who ruled in the Larsa dynasty, Gungunum, was one of the most powerful kings who stood up to the Isin dynasty, which had until that time enjoyed great political superiority in the country. The kings who ruled after him expanded their influence and controlled a number of cities, especially the cities of Nippur and Uruk, whic
... Show MoreThis research aims to investigate and improve multi-user free space optic systems (FSO) based on a hybrid subcarrier multiplexing spectral amplitude coding-optical code division multiple access (SCM-SAC-OCDMA) technique using MS code with a direct decoding technique. The performance is observed under different weather conditions including clear, rain, and haze conditions. The investigation includes analyzing the proposed system mathematically using MATLAB and OptiSystem software. The simulation is carried out using a laser diode. Furthermore, the performances of the MS code in terms of angles of bit rate, beam divergence and noise are evaluated based on bit error rate (BER), received
The purpose of this article is to improve and minimize noise from the signal by studying wavelet transforms and showing how to use the most effective ones for processing and analysis. As both the Discrete Wavelet Transformation method was used, we will outline some transformation techniques along with the methodology for applying them to remove noise from the signal. Proceeds based on the threshold value and the threshold functions Lifting Transformation, Wavelet Transformation, and Packet Discrete Wavelet Transformation. Using AMSE, A comparison was made between them , and the best was selected. When the aforementioned techniques were applied to actual data that was represented by each of the prices, it became evident that the lift
... Show MoreThe relationship between respiratory diseases and natural geographical variables relative to temperature, relative humidity, wind and solar radiation is a strong one.
The environmental factors have impact on increasing the proportion of people with respiratory diseases in the province of Najaf, especially industrial pollution and working conditions as well as the economic level.
Ah-Mishkhab was in the first rank in terms of the number of people infected with respiratory diseases reached 135177 and 41%, followed by Najaf governorate which reached its numbers to 77801 and 23%. The district of Kufa ranked third with 42051 and 13%, and the other administrative units at fourth and fifth rank respectively.
When comparing diseases and
The aim of this paper is to determine the flexural moment capacity of Reactive Powder Concrete (RPC) two-way slabs based on three models proposed by previous studies (Model 1, Model 2, and Model 3). The results obtained from these models were compared with those obtained from experimental work to check the accuracy and the applicability of the adopted theoretical models. The experimental program included the testing of three simply supported RPC two-way slabs (1000x1000x70) mm each. The tested specimens had identical properties except their steel fibres volume ratios (0.5 %, 1 %, and 1.5 %). The comparison with the experimental data showed that (Model 3) is the most suitable one among the three models. Model 1 was found to underestimate the
... Show MoreWorldwide, there is an increased reliance on COVID-19-related health messages to curb the COVID-19 outbreak. Therefore, it is vital to provide a well-prepared and authentic translation of English-language messages to reach culturally and linguistically diverse audiences. However, few studies, if any, focus on how non-English-speaking readers receive and linguistically accept the lexical choices in the messages translated into their language. The present study tested a sample of translated Arabic COVID-19-related texts that were obtained from the World Health Organization and Australian New South Wales Health websites. This study investigated to that extent Arabic readers would receive translated COVID-19 health messages and whether the t
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