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 new media scene reveals that the unprecedented overlap of a number of technical, economic, and political factors has made the new media a very complicated issue; and the focus of specialized and public debates about its impact on traditional means of communication and forms of social media and social relations. Then, the same scene discloses the reality of the relationship between the new and the traditional. These are the axes that will be will be discussed in this study.
The carbonate ramp facies of the Late Albian-Early Cenomanian Mauddud Formation were studied in the Ratawi Oilfield, Basra Governorate, south of Iraq using integrated borehole data set that included, core and cutting samples in three drilled wells to analyze the petrography of the Mauddud Formation, two hundred and eighty-one (281) thin sections were prepared and examined for the three selected wells. The results show that the formation is composed of light grey dolomitized limestone and pseudo-oolitic creamy limestone with green to bluish shale. The petrographic observations results show four facies’ associations in the Mauddud Formation. These include: Mid–Ramp environment which is represented by Argillaceous mudstone mi
... Show MoreA number of compression schemes were put forward to achieve high compression factors with high image quality at a low computational time. In this paper, a combined transform coding scheme is proposed which is based on discrete wavelet (DWT) and discrete cosine (DCT) transforms with an added new enhancement method, which is the sliding run length encoding (SRLE) technique, to further improve compression. The advantages of the wavelet and the discrete cosine transforms were utilized to encode the image. This first step involves transforming the color components of the image from RGB to YUV planes to acquire the advantage of the existing spectral correlation and consequently gaining more compression. DWT is then applied to the Y, U and V col
... Show MoreUncompressed form of the digital images are needed a very large storage capacity amount, as a consequence requires large communication bandwidth for data transmission over the network. Image compression techniques not only minimize the image storage space but also preserve the quality of image. This paper reveal image compression technique which uses distinct image coding scheme based on wavelet transform that combined effective types of compression algorithms for further compression. EZW and SPIHT algorithms are types of significant compression techniques that obtainable for lossy image compression algorithms. The EZW coding is a worthwhile and simple efficient algorithm. SPIHT is an most powerful technique that utilize for image
... Show MoreThe aim of the current paper is to resolve the non-uniqueness in gravity interpretation through searching for singular points in the gravity field that are coincide with causative body vertices. The Absolute Second Horizontal Gradient (ASHG) method is used to locate the horizontal reference location of the body, while its amplitude could be used to define body corner depth. Intelligent use of the ASHG method could help in differentiating between basin and intrusion structures from their gravity effect and could facilitate the interpretation in forward modeling and constrain inversion modeling to maximum limit. The method is tested by using many synthetic examples with different types of shapes. A real data is used to examine the method a
... Show MoreThe Schiff bases (1-10) were synthesized by the reaction of cefixime with aldehydes derivatives. The characterization of Schiff bases were carried out, by using spectroscopic techniques including IR, U.V – Vis, H1-NMR, EI-MS along with elemental analyses (C.H.N.).
In this work, InSe thin films were deposited on glass substrates by thermal evaporation technique with a deposit rate of (2.5∓0.2) nm/sec. The thickness of the films was around (300∓10) nm, and the thin films were annealed at (100, 200 and 300)°C. The structural, morphology, and optical properties of Indium selenide thin films were studied using X-ray diffraction, Scanning Electron Microscope and UV–Visible spectrometry respectively. X-ray diffraction analyses showed that the as deposited thin films have amorphous structures. At annealing temperature of 100°C and 200°C, the films show enhanced crystalline nature, but at 300°C the film shows a polycrystalline structure with Rhombohedral phase with crystallites size of 17.459 nm. Th
... Show MoreThis paper studies the investment project evaluation under the condition of uncertainty. Evaluation of investment project under risk and uncertainty is possible to be carried out through application of various methods and techniques. The best known methods are : Risk-adjusted discount rate , certainty equivalent method , Sensitivity analysis and Simulation method The objective of this study is using the sensitivity analysis in evaluation Glass Bottles project in Anbar province under the condition of risk and uncertainty.
After applying sensitivity analysis we found that the glass bottles project sensitive to the following factors (cash flow, the cost of investment, and the pro
... Show MoreThe logistic regression model is an important statistical model showing the relationship between the binary variable and the explanatory variables. The large number of explanations that are usually used to illustrate the response led to the emergence of the problem of linear multiplicity between the explanatory variables that make estimating the parameters of the model not accurate.
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