In this work the strain energy of tetrahedrane and its nitrogen substituted molecules were calculated by isodesmic reaction method according to DFT quantum chemical fashion, the used basis set was 6-31G/B3-LYP, in addition all structures were optimized by RM1 semi-empirical method. From the obtained data we estimate an empirical equation connect between strain energy of the molecule with charge functions represented by dipole moment of the molecule plus accumulated charge density involved within the tetrahedron frame plus the number of nitrogen atoms. The results indicate the charge spreading factors by polarization and processes are the most important factors in decreasing the strain energy.
Texture recognition is used in various pattern recognition applications and texture classification that possess a characteristic appearance. This research paper aims to provide an improved scheme to provide enhanced classification decisions and to decrease processing time significantly. This research studied the discriminating characteristics of textures by extracting them from various texture images using discrete Haar transform (DHT) and discrete Fourier transform DFT. Two sets of features are proposed; the first set was extracted using the traditional DFT, while the second used DHT. The features from the Fourier domain are calculated using the radial distribution of spectra, while for those extracted from Haar Wavelet the statistical
... Show MoreIn this paper , certain subclass of harmonic multivalent function defined in the exterior of the unit disk by used generalize hypergeometric functions is introduced . In This study an attempting have been made to investigate several geometric properties such as coefficient property , growth bounds , extreme points , convolution property , and convex linear combination .
Embracing digital technological advancements in media and communication has led government entities to adopt communication practices fully aligned with the digital and networked system in government communication. Traditional media practices within the government environment increasingly rely on the ability to utilize digital tools and systems for content creation, communication, evaluation, and the management of the entire communication process within an electronic and intelligent framework for government services. Naturally, this transformation has caught the attention of communication and public relations researchers worldwide, as the digital and networked aspects of government communication now form an intelle
... Show MoreEndometriosis, an autoimmune disease is among one of the most challenging of the 21 st century that affects women in reproductive age. The aim of the present study is to highlight the role of IL-36γ, and its relationship with other cytokines (Ang-2 and TNF-α) in the pathogenesis of endometriosis . Seventy five (75) consecutive women patient of reproductive age (25-40) years were enrolled in this study , Patients were divided into three groups , group 1 (G1) included (25) newly diagnosed endometriotic patients , that were not given any treatment related to Gynecology or anti-inflammatory medications . Second group : group 2 (G2) consists of (25) endometriotic patient who were treated with zoladex
... Show MoreIn this paper, a differential operator is used to generate a subclass of analytic and univalent functions with positive coefficients. The studied class of the functions includes:
which is defined in the open unit disk satisfying the following condition
This leads to the study of properties such as coefficient bounds, Hadamard product, radius of close –to- convexity, inclusive properties, and (n, τ) –neighborhoods for functions belonging to our class.
Decision making is vital and important activity in field operations research ,engineering ,administration science and economic science with any industrial or service company or organization because the core of management process as well as improve him performance . The research includes decision making process when the objective function is fraction function and solve models fraction programming by using some fraction programming methods and using goal programming method aid programming ( win QSB )and the results explain the effect use the goal programming method in decision making process when the objective function is
fraction .
In this study a DFT calculation on cyclopropanone, cyclopropandione and cyclopropantrione molecules was performed using the basis function 6-31G ** / MP2 and exchange correlation potential B3-LYP. The results showed that the ground state of all molecules geometry belong to the point group ð¶2ð‘£where a vibronic coupling between the vibrational motion with the electronic ground state in the molecule C3O3 this leads to a reduction in symmetry of the molecule fromð·3â„Žto ð¶2ð‘£, the driving force of this process is accessing to the electronic configuration complies with Hückel aromatic systems with two electrons. Also in this, study the normal modes of vibration, frequencies, intensities and symm
... Show MoreAccording to the theory of regular geometric functions, the relevance of geometry to analysis is a critical feature. One of the significant tools to study operators is to utilize the convolution product. The dynamic techniques of convolution have attracted numerous complex analyses in current research. In this effort, an attempt is made by utilizing the said techniques to study a new linear complex operator connecting an incomplete beta function and a Hurwitz–Lerch zeta function of certain meromorphic functions. Furthermore, we employ a method based on the first-order differential subordination to derive new and better differential complex inequalities, namely differential subordinations.
The corrosion inhibiting properties of the new furan derivative 5-(furan-2-ylmethylsulfonyl-4-phenyl-2,4- dihydro [1,2,4] triazole-3-thione in acidic solution (1.0 M HCl) were explored utilizing electrochemical, surface morphology (AFM), and quantum chemical calculations approaches. The novel furan derivative 5-(furan-2-ylmethylsulfonyl-4-phenyl-2,4- dihydro [1,2,4] triazole-3-thione shows with an inhibitory efficiency value of 99.4 percent at 150 ppm, carbon steel corrosion in acidic medium is effectively inhibited, according to the results. The influence of temperature on corrosion prevention was studied using adsorption parameters and activation thermodynamics. The novel furan derivative creates a protective layer over the metallic surfa
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