Electric Quadrupole transitions are calculated for beryllium isotopes (9, 10, 12 and 14). Calculations with configuration mixing shell model usually under estimate the measured E2 transition strength. Although the consideration of a large basis no core shell model with 2ℏtruncations for 9,10,12 and14 where all major shells s, p, sd are used, fail to describe the measured reduced transition strength without normalizing the matrix elements with effective charges to compensate for the discarded space. Instead of using constant effective charges, excitations out of major shell space are taken into account through a microscopic theory which allows particle–hole excitations from the core and model space orbits to all higher orbits with 2ℏw excitations which are called core-polarization effects. The two body Michigan sum of three ranges Yukawa potential (M3Y) is used for the core-polarization matrix element. The simple harmonic oscillator potential is used to generate the single particle matrix elements of all isotopes considered in this work. The b value of each isotope is adjusted to reproduce the experimental matter radius, These size parameters of the harmonic oscillator almost reproduce all the root mean square (rms) matter radii for 9,10,12,14Be isotopes within the experimental errors. Almost same effective charges are obtained for the neutron- rich Be isotopes which are smaller than the standard values. The major contribution to the transition strength comes from the core polarization effects. The present calculations of the neutron-rich 12,14Beisotopes show a deviation from the general trends in accordance with experimental and other theoretical studies. The configurations arises from the shell model calculations with core-polarization effects reproduce the experimental B(E2) values.
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Mn(II), Co(II), Ni(II), Cu(II), and Cr(III) metal complexes with the ligand (L) [3-(2nitro benzylidene) amino-2-thioxoimidazolidin-4-one] have been prepared and characterized in their solid state using the elemental micro analysis (C.H.N.S), flame atomic absorption, UV-Vis spectroscopy, FT-IR, magnetic susceptibility measurements, and electrical molar conductivity. The ratio of metal to ligand [M:L] was got for all complexes in the ethanol by using the molar ratio method, which produced comparable results with those results obtained for the solid complexes. From the data of all techniques, octahedral geometry was proposed for Cr(III), Mn(II), and Co(II) complexes, while tetrahedral structure was proposed for Ni(II), Cu(II) complexes.
The reaction paths of the C-C and C-H bond cleavage in the anthracene and phenanthrene aromatic molecules are studied by applying the ab-initio DFT method. It is found that the C-C bond cleavage proceeds via a singlet aromatic transition state, compelled through a disrotatoric ring opening reaction. A suprafacial H atom shift follows the transition state, leading to the formation of a methylene -CH2 and an acetylenic or allenic moiety. The calculated activation energies for anthracene range from 158.81-208.90 kcal/mol and the reaction energies from 96.106-156.976 kcal/mol. For phenanthrene, the energy values are 157.39-202.34 kcal/mol and 62.639-182.423 kcal/mol, respectively. For the C-H cleavage reactions, the calculated reaction energies
... Show MoreBackground: A case-control study design revealeda relationship between the present of fluoride, and the reduction of dental caries and the increase prevalence and severity of dental fluorosis .The aim of this study was to assess the prevalence and severity of dental caries in relation to dental fluorosis among school children in Al-Muthana'a Governorate. Materials and methods: It was conducted among primary school students aged 12 years old, the age was taken according to the criteria of World Health Organization (1997) (1).The number of students was selected in each sector of control group according to number of schools in that sector .Sectors of control group which depend on water of river as source of drinking water. Case group which inc
... Show MoreBackground: The socioeconomic is important factor that effect in the severity and prevalence of most predominant and wide spread oral disease named dental caries, since this oral disease effects children, adolescents, adults and elderly peoples especially in developing countries as in Iraq.This survey was aimed to investigate the prevalence and severity of dental caries in relation to socioeconomic status. Materials and Methods: This oral health survey was conducted among primary and secondary school students aged 12 years old in Dewanyiah governorate in Iraq. The total sample composed of 804 (401 boys and 403 girls) selected randomly from different schools in Dewanyiah governorate. Diagnosis and recording of dental caries was assessed ac
... Show MoreBackground: There is a clear debate about the role of bad oral habits (thumb-sucking and biting nails) and on oral health and the state of the dental caries, but there is no doubt that continuing these bad habits until advanced ages will lead to deep and difficult problems to solve. Objective: The purpose of study was to evaluate the effect of bad habits, include finger sucking and nail biting on dental caries among children aged from 6 to 10 years old. Subjects and methods: In Al-Hilla city, Iraq, a comparative study was conducted in which (200) primary school students aged between 6 to10 years old were involved. A questionnaire filled out by their parents was used to gather information related to the bad oral habit, and then all the stude
... Show Moreتكمن اهمية البحث من خلال اجراء دراسة لمقارنة بعض المتغيرات الكينماتيكية لأداء الضربة الخلفية القاطعة (المستقيمة والقطرية) ومعرفة علاقة ذلك بسرعة ودقة الاداء لدى لاعبي التنس بأعمار (14-16) سنة, ومن خلال متابعة الباحثان لأغلب تمرينات المنتخب الوطني ومن خلال المشاركة في اكثر البطولات المحلية لاحظ بان هذه المهارة يتم استخدامها مرة مستقيمة ومرة قطرية وبالتأكيد سوف يكون لدينا اختلاف من حيث المسار الحركي للأداء
... Show MorePM3 semiempirical method and Density Functional Theory (DFT) calculations of the type (B3LYP) and a Gaussian basis set (6-311G) were carried out for fullerene C60 molecule with its construction units (5radialene, 1,2,3-trimethylene indan, and corannulene), to evaluate the geometrical structure (bond lengths, symmetry, and energetic such as heat of formation ΔH0f, total energy Etot., dipole moment μ, EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), energy gap ΔEHOMO-LUMO), the distribution of electron density and vibration frequencies, all at their equilibrium geometries. Assignment of the vibrations modes was done according to the movement of the atoms as a result of DFT calculatio
... Show MorePM3 semiempirical method and Density Functional Theory (DFT) calculations of the type (B3LYP) and a Gaussian basis set (6-311G) were carried out for fullerene C60 molecule with its construction units (5radialene, 1,2,3-trimethylene indan, and corannulene), to evaluate the geometrical structure (bond lengths, symmetry, and energetic such as heat of formation ΔH0f, total energy Etot., dipole moment μ, EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), energy gap ΔEHOMO-LUMO), the distribution of electron density and vibration frequencies, all at their equilibrium geometries. Assignment of the vibrations modes was done according to the movement of the atoms as a result of DFT calculatio
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