This work revealed the spherical aromaticity of some inorganic E4 cages and their protonated E4H+ ions (E=N, P, As, Sb, and Bi). For this purpose, we employed several evaluations like (0D-1D) nucleus independent chemical shift (NICS), multidimensional (2D-3D) off-nucleus isotropic shielding σiso(r), and natural bond orbital (NBO) analysis. The magnetic calculations involved gauge-including atomic orbitals (GIAO) with two density functionals B3LYP and WB97XD, and basis sets of Jorge-ATZP, 6-311+G(d,p), and Lanl2DZp. The Jorge-ATZP basis set showed the best consistency. Our findings disclosed non-classical aromatic characters in the above molecules, which decreased from N to Bi cages. Also, the results showed more aromaticity in E4 than E4H+. The NBO analysis attributed the aromaticity in the above molecules to the residual density of the overlapping σ-bonding orbitals. So, the aromaticity in these molecules is unlike the classical aromaticity that is associated with electron delocalization. Scanning 1D σiso(r) variation along E−E bonds indicated a lowering in the shielding trend from N to Bi cages. The 3D results showed a similar decrease in the relative volumetric diffusion of the magnetic activity, whereas the volumetric ratio of V1ppm/V2ppm is almost constant for all the E4 cages.
That the possibility of imposing a tax on electronic commerce is increasing interest in it by governments in developed and developing countries alike, and there is interest in a logical by governments and bodies of taxation, in particular in developing countries erosion potential tax in the tax base resulting from the adoption of e-commerce if not mutation rules and tax legislation, local and international to take into account this important economic developments and how to keep up, said the combination of the taxation system is the only way to increase revenue needed to finance government spending on goods and services needed by society.
The most important conclusions reached by the rese
... Show MoreDrama "The Condamned of Altona" shows many different aspects of the 20th century. It contrasts strong, self-assured characters with weak, unsure ones to address absurdism and existentialism. Also, this piece shows the misery of the decade by showing Frantz, one of the play's heroes, taking his own life. Through suicide, disillusionment, and worry, the play depicts the upheaval of the 20th century, which was marred by numerous crises. The play's depiction of the jail and its inmates exemplifies the regret that accompanied the two world wars . Not only does guilt serve as a metaphor for the wrongs done by the Germans, but it also serves as a metaphor for the French inactivity during the occupation. And also the writers who did not devote thei
... Show MoreGypseous soil is a collapsible soil, which causes large deformations in buildings that are constructed on it. Various methods have been used to minimise this effect, such as replacing the gypseous soil or using soil stabilisation (grouting or soil improvement). This study was carried out on four types of gypseous soils that have different properties and various gypsum contents. The testing was carried out on remoulded samples to evaluate the compressibility of gypseous soil under different conditions. The samples were grouted with acrylate liquid. The relationships between the injection pressure and the radius of flow, between time of injection and radius of flow, and between time and quantity of acrylate liquid are investigated on
... Show More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
... Show MoreThe synthesis oxadiazole derivative 2,5-disubstituted-1,3,4oxadiazole (3a,3b,3c) was prepared from reaction of N-(4-amino benzene sulphonyl)Morpholipebut-2-enehydrazide with (4-hydroxybenzaldehyde,4-methoxy benzaldehyde,4-ethoxybenzaldehyde) in the presence of lone as catalyst. The structure of (3a,3b,3c) was characterized by using FT-IR, H-NMR and spectroscopy. Nanoparticles of the prepared compounds have been fabricated in aqueous media using re-precipitation method.Characterization of the nano particles (ONPs) have been performed by using UV-VIS spectrophotometer and scanning electron micro scope ( SEM). The size of the nanoparticales were around 150-200 nm as indicated by (SEM). T
Seven species of semi venomous Opisthoglypha snakes (Reptilia, Ophidia) of Iraq are listed with important characteristics in morphology due to geographical and individual variation of species, as well, the confusion in the scales count of Telescopus tessellatus martini (Schmidt, 1939) of Iraq are discussed.
Abstract A descriptive study to assess of factors that contributes of lung cancer. The study was carried out in Specialized Surgery teaching hospital, Ibin Al- Beetar hospital and Ibin Al- Nafees hospital for the period From January 2004 to October 2004 .The study aimed to assess the factors that contribute to lung cancer and to identify the relationship between the variables of the study with lung cancer. A purposive (non-probability) sample of (70) patients with lung cancer was selected for the study. An assessment form was employed for the purpose of the study. Test- retest reliability was employed through
This paper discusses the Sums of Squares of “m” consecutive Woodall Numbers. These discussions are made from the definition of Woodall numbers. Also learn the comparability of Woodall numbers and other special numbers. An attempt to communicate the formula for the sums of squares of ‘m’ Woodall numbers and its matrix form are discussed. Further, this study expresses some more correlations between Woodall numbers and other special numbers.
Biological Activity of Complexes of Some Amino Acid
The pharmacy is the face for the health buildings and hospitals, The linking professional relationships and functional, it is been from the important places that most people go it, so according to that we must format its interior design in form that suitable with the need of most people use it or work in it, and this the search goal, dashing from the search subject which to hide finding designer treatment for the pharmacies interior spaces, to give share in the functional improvement performance or aesthetic. We define the search goals to share in educate the pharmacist in the effect of interior design for improvement of interior environment, in addition to the search consider as designer trying add to the other trying the interior desig
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