Off-nucleus isotropic magnetic shielding (σiso(r)) and multi-points nucleus independent chemical shift (NICS(0-2 Å)) index were utilized to find the impacts of the isomerization of gas-phase furfuraldehyde (FD) on bonding and aromaticity of FD. Multidimensional (1D to 3D) grids of ghost atoms (bqs) were used as local magnetic probes to evaluate σiso(r) through gauge-including atomic orbitals (GIAO) at density functional theory (DFT) and B3LYP functional/6-311+G(d,p) basis set level of theory. 1D σiso(r) responses along each bond of FD were examined. Also, a σiso(r) 2D-scan was performed to obtain σiso(r) behavior at vertical heights of 0–1 Å above the FD plane in its cis, transition state (TS) and trans forms. New techniques for evaluating 2D σiso(r) cross-sections are also included. Our findings showed that bonds in cyclic and acyclic parts of FD are dissimilar. Unlike the C−O bond of furanyl, the C=O bond of the formyl group is magnetically different. C−C and C−H bonds in furanyl are found similar to those in aromatic rings. A unique σiso(r) trend was observed for the C2−C6 bond during FD isomerization. Based on NICS(0-2 Å) values, the degree of aromaticity follows the order of cis FD
Elastic magnetic M1 electron scattering form factor has been calculated for the ground state J,T=1/2-,1/2 of 13C. The single-particle model is used with harmonic oscillator wave function. The core-polarization effects are calculated in the first-order perturbation theory including excitations up to 5ħω, using the modified surface delta interaction (MSDI) as a residual interaction. No parameters are introduced in this work. The data are reasonably explained up to q~2.5fm-1 .
Elastic magnetic electron scattering form factors in Ca-41 have been investigated. 1f7/2 subshell has been adopted as a model space with one neutron, and Millinar, Baymann and Zamick 1f7/2 model space effective interaction (F7MBZ) has been used as a model space effective interaction to generate the model space vectors for the M1, M3, M5, M7, and total form factors. Discarded space (core and higher configuration orbits) have been included through the first order perturbation theory to couple the partice-hole pair of excitation with 2ћω excitation energy in the calculation of the form factors and regarding the realistic interaction density dependence M3Y as a core polarization interaction with five sets of modern fitting parameters. Fina
... Show MoreInelastic transverse magnetic dipole electron scattering form
factors in 48Ca have been investigated through nuclear shell model
in an excited state energy Ex= 10.23 MeV which is so called
"mystery case" with different optional choices like effective
interaction, restricted occupation and core polarization interaction.
40Ca as an inert core will be adopted and four orbits with eight
particles distributed mainly in 2p1f model space and in some extend
restricted to make sure about the major accuse about this type of
transition. Theoretical results have been constituted mainly with
experimental data and compared with some important theoretical
results of the same transition.
In the present work, the image and representation of Adela, the youngest daughter of the family of the Casa de Bernarda Alba, one of the most popular works of the Spanish author Federico García Lorca (1898-1936), will be analyzed. In this work, there are different themes, but what concerns us is to show the repression, oppression and rebellion of this character in a context of customs of the 1920s in Spain. They are revealing elements in that period in which women were relegated to the background, despite the fact that a feminist movement had already begun in Spain. By studying Adela, we seek to see how a single woman confronts her family and the society that surrounds her to fight for freedom, although its end is finally linked to
... Show MoreWe have studied the effect of applying an external magnetic field on the characteristics of iron oxide (IO) nanoparticles (NPs) synthesized by pulsed laser ablation in dimethylformamide (DMF). The NPs synthesized with and without applying of magnetic field were characterized by Fourier transformation infrared spectroscopy (FT-IR), UV–Vis absorption, scanning electron microscope (SEM), atomic force microscope (AFM), and X-ray diffraction (XRD). SEM results confirmed that the particle size was decreased after applying magnetic field.
Background: Temporomandibular joint disorder (TMD) is a general term that describe a wide variety of conditions that include myogenic pain, internalderangement, arthritic problem, ankylosis of the joint and growth disorders. The aims of study was to evaluate the value of 3 Tesla magnetic resonance imaging in assessment of articular disc position and configuration in patients with temporomandibular joint disorders and to evaluate the correlations of these MRI findings with the clinical signs and symptoms. Materials and methods: A total forty six (30 study and 16 control) participants aged between18 and 49 years, were examined according to Helkimo anamnestic index (questionnaire for anamnesis) and clinical dysfunction index scoring criteria
... Show MoreFloods caused by dam failures can cause huge losses of life and property, especially in estuarine areas and valleys. In spite of all the capabilities and great improvements reached by man in the construction of dams and their structures, they will remain helpless before the powerful forces of nature, especially those related to tectonic activation, and the occurrence of earthquakes of different intensities.
The region extending from the Ilisu Dam in Turkey to the Mosul Dam in Iraq was chosen as an area for this study, and the HEC-RAS application was used to simulate the collapse of the Ilisu Dam due to a major earthquake, to know the magnitude of the risks and losses that could result
This research will cover different aspects of estimating process of construction work in a desert area. The inherent difficulties which accompany the cost estimating of the construction works in desert environment in a developing country, will stem from the limited information available, resources scarcity, low level of skilled workers, the prevailing severe weather conditions and many others, which definitely don't provide a fair, reliable and accurate estimation. This study tries to present unit price to estimate the cost in preliminary phase of a project. Estimations are supported by developing mathematical equations based on the historical data of maintenance, new construction of managerial and school projects.
... Show MoreThe media of all kinds have the task of introducing, expressing and objectively representing the cultures of different societies in various types and forms of press and media. The precept of media pluralism is the basis for freedom of expression & the cornerstone of its realization. Therefore, it is linked to the establishment of several conditions and elements in order to establish it as a principle and practice. Issues of cultural diversity in media and cultural pluralism are one of the most important elements and indicators. So, this paper aims to shed light on the concept of media pluralism and related concepts within the framework of cultural diversity and multicultural indicators. Thus, highlighting the feature
... Show MoreCrime is a threat to any nation’s security administration and jurisdiction. Therefore, crime analysis becomes increasingly important because it assigns the time and place based on the collected spatial and temporal data. However, old techniques, such as paperwork, investigative judges, and statistical analysis, are not efficient enough to predict the accurate time and location where the crime had taken place. But when machine learning and data mining methods were deployed in crime analysis, crime analysis and predication accuracy increased dramatically. In this study, various types of criminal analysis and prediction using several machine learning and data mining techniques, based o