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 topic area of that’s research dealing with values which adopted by Iraqi people since 1980, many changes and variables which make many situations and skills which the life is suitable in war and conflicts times. That’s values like traditional and ordering, traditionalism mean the conservation about values s and tradition which society adopted its. The Iraqi society suffering from many changes since 1980-2003, the consequently of that’s changes make Iraqi citizen more interested about luxury needs like clothes, while decreasing the interested about liberty of thought, beauty, show evidence of identity, and openness of mind. The processing of values changes associated with political behavior of Iraqi people which lead to weaken o
... Show MoreGroundwater is considered as one of the most important sources of fresh-water, on which many regions around the world depend, especially in semi-arid and arid regions. Protecting and maintaining groundwater is a difficult process, but it is very important to maintain an important source of water. The current study aims to assess the susceptibility of groundwater to pollution using the DRASTIC model along with the GIS environments and its tool boxes. A vulnerability map was created by relying on data collected from 55 wells surveyed by the researchers as well as archived records from governmental institutions and some international organizations. The results indicate that the region falls into three vulnerability functional zones , namely
... Show MoreA thin film of AgInSe2 and Ag1-xCuxInSe2 as well as n-Ag1-xCuxInSe2 /p-Si heterojunction with different Cu ratios (0, 0.1, 0.2) has been successfully fabricated by thermal evaporation method as absorbent layer with thickness about 700 nm and ZnTe as window layer with thickness about 100 nm. We made a multi-layer of p-ZnTe/n-AgCuInSe2/p-Si structures, In the present work, the conversion efficiency (η) increased when added the Cu and when used p-ZnTe as a window layer (WL) the bandgap energy of the direct transition decreases from 1.75 eV (Cu=0.0) to 1.48 eV (Cu=0.2 nm) and the bandgap energy for ZnTe=2.35 eV. The measurements of the electrical properties for prepared films showed that the D.C electrical conductivity (σd.c) increase
... Show MoreThe research is based on a statement of the effect and nature of the relationship of elements of promotional mix represented by (advertising, personal selling, sales promotion, public relations and direct marketing) as the independent variable in the dependent variable represented in the competitive advantage in the General Company for the manufacture of medicines and medical supplies Samarra. Analytical descriptive in the theoretical side, through the use of a number of literature from scientific sources (books, research and studies published in Arab and foreign magazines) was also relied on the methodology of the case study in the practical side, Data collection using the questionnaire tool, which was designed using the triangular Like
... Show MoreThe Order Sphaerocarpales of the bottle liverwort consists of five genera, among which Sphaerocarpos in turn consists of 8-9 species. The genus is nearly worldwide distributed, but disjunct, sporadic, and localized throughout the range in North America, South America, Europe, Africa, and Australia. According to the published checklist, only two species of Sphaerocarpos were recorded in the middle east countries. These are S. texanus and S. michelii, both were found in Turkey, while only the latter was found in Iraq. By the current study, an additional species, S. donnellii, will be added to the byroflora of the Middle East (south west Asia) region. A specimen of this s
... Show MoreIn this work, radon concentrations in the polluted environment were measured within the Baghdad sample surface soil conservation, and this was done using a RAD-7 mobile detector. The work consists of four parts:
The first part includes calculating the latitude and longitude of each point of the study area using the Global Positioning System (GPS). The second part of which includes Determination of 222Rn gas concentrations in surface soil samples. In the northeast part of Baghdad, the highest concentration of radon was found in Al-
Shaab area (3.11 ±175.33 Bq / m3), while the lowest gas concentration in AL Gzeera area (6.67±73.00 Bq/ m3), In the northwest part of Baghdad, the highest concentratio
The research seeks to identify the proposed scenarios to predict and ward off monetary credit risks that the bank is exposed to in the future, using the banking stress tests model, and showing their impact on capital adequacy and profitability ratio,To achieve this purpose, Sumer Commercial Bank was taken as a case study, and mathematical equations were used to extract the results. Low percentage of profits and returns, strictness in the process of granting credit and financing operations in order to reduce credit risks.
Both 13C 16O and 22Ne 25Mg reactions perform a cosmic role in the production of neutrons in AGB stars, which significantly contributes to the nucleosynthesis via the s-process. The astrophysical S-factor for both reactions is calculated in this research, utilizing EMPIRE code and depending on two parameter sets for the optical potential. These datasets were published earlier by McFadden and Satchler (denoted here as MFS) and Avrigeanu and Hodgson (denoted as AH) for the non-resonant region of the spectrum and over a temperature range of . The extrapolated S-factor at zero energy is derived to be and for 13C 16O, while the values were and fo
... Show MoreEach project management system aims to complete the project within its identified objectives: budget, time, and quality. It is achieving the project within the defined deadline that required careful scheduling, that be attained early. Due to the nature of unique repetitive construction projects, time contingency and project uncertainty are necessary for accurate scheduling. It should be integrated and flexible to accommodate the changes without adversely affecting the construction project’s total completion time. Repetitive planning and scheduling methods are more effective and essential. However, they need continuous development because of the evolution of execution methods, essent
The digital world has been witnessing a fast progress in technology, which led to an enormous increase in using digital devices, such as cell phones, laptops, and digital cameras. Thus, photographs and videos function as the primary sources of legal proof in courtrooms concerning any incident or crime. It has become important to prove the trustworthiness of digital multimedia. Inter-frame video forgery one of common types of video manipulation performed in temporal domain. It deals with inter-frame video forgery detection that involves frame deletion, insertion, duplication, and shuffling. Deep Learning (DL) techniques have been proven effective in analysis and processing of visual media. Dealing with video data needs to handle th
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