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.
Due to the intensity of competition between economic units that run the trade in durable goods had to pay a lot of these companies to follow the new selling methods aimed at attracting customers to be able to increase its sales and thereby increase their profits , these methods are installment sales, which had been in great demand by the customers with limited income, who provides them with the possibility of possession and use of such goods and to postpone the full amount of the payment to the seller, This transaction sales have grown even became installment sales system at the present time of the common types of sales transactions and deployed a lot in our environment and in many sectors of the market, and in some cases m
... Show MoreThe basic idea of the Main Outfall Drain, MOD, was to construct a main channel to collect saline drained water of the irrigation projects within central and southern parts of Iraq and discharge it down to the Arabian Gulf. The MOD has a navigation lock structures near Addalmage Lake at station 299.4km. This structure is designed to ensure navigation within the MOD. The water level difference upstream the cross regulator and the downstream conjugation structure is about 9m. This head difference can be used to generate electrical power by constricting a low head power plant. This study aimed to utilize the head difference in navigation lock structures for power generation. Different operation condition an
... Show MoreString matching is seen as one of the essential problems in computer science. A variety of computer applications provide the string matching service for their end users. The remarkable boost in the number of data that is created and kept by modern computational devices influences researchers to obtain even more powerful methods for coping with this problem. In this research, the Quick Search string matching algorithm are adopted to be implemented under the multi-core environment using OpenMP directive which can be employed to reduce the overall execution time of the program. English text, Proteins and DNA data types are utilized to examine the effect of parallelization and implementation of Quick Search string matching algorithm on multi-co
... Show MoreBMMAM Saleh, EUROPEAN ACADEMIC RESEARCH, 2016
Decision-making in Operations Research is the main point in various studies in our real-life applications. However, these different studies focus on this topic. One drawback some of their studies are restricted and have not addressed the nature of values in terms of imprecise data (ID). This paper thus deals with two contributions. First, decreasing the total costs by classifying subsets of costs. Second, improving the optimality solution by the Hungarian assignment approach. This newly proposed method is called fuzzy sub-Triangular form (FS-TF) under ID. The results obtained are exquisite as compared with previous methods including, robust ranking technique, arithmetic operations, magnitude ranking method and centroid ranking method. This
... Show MoreThe process of selection assure the objective of receiving for chosen ones to high levels more than other ways , and the problem of this research came by these inquires (what is the variables of limits we must considered when first preliminaries selections for mini basket ? and what is the proper test that suits this category ? and is there any standards references it can be depend on it ?) also the aims of this research that knowing the limits variables to basketball mini and their tests as a indicators for preliminaries for mini basketball category in ages (9-12) years and specifies standards (modified standards degrees in following method) to tests results to some limits variables for research sample. Also the researchers depends on (16)
... Show MoreIn this paper, the methods of weighted residuals: Collocation Method (CM), Least Squares Method (LSM) and Galerkin Method (GM) are used to solve the thin film flow (TFF) equation. The weighted residual methods were implemented to get an approximate solution to the TFF equation. The accuracy of the obtained results is checked by calculating the maximum error remainder functions (MER). Moreover, the outcomes were examined in comparison with the 4th-order Runge-Kutta method (RK4) and good agreements have been achieved. All the evaluations have been successfully implemented by using the computer system Mathematica®10.
Some relations of inclusion and their properties are investigated for functions of type " -valent that involves the generalized operator of Srivastava-Attiya by using the principle of strong differential subordination.
The unconventional techniques called “the quick look techniques”, have been developed to present well log data calculations, so that they may be scanned easily to identify the zones that warrant a more detailed analysis, these techniques have been generated by service companies at the well site which are among the useful, they provide the elements of information needed for making decisions quickly when time is of essence. The techniques used in this paper are:
- Apparent resistivity Rwa
- Rxo /Rt
The above two methods had been used to evaluate Nasiriyah oil field formations (well-NS-3) to discover the hydrocarbon bearing formations. A compu
... Show MoreThe aim of the research is to find out the methods of employing the : Infographics in the news sites due to the different communicative roles of the : Infographics . To achieve the research objective, the researcher used the survey method: the method of analyzing the content to analyze the : Infographics material from the selected sample of the news sites. What was said ? And how was it said? Through the design of a content analysis form that includes a number of studied analysis Infographics of the study.