The present work shows a theoretical results that have been used the functional Hybrid of three parameters Lee-Yang-Parr (B3LYP) of the quantum mechanical approach for density functional theory with (Spanish Initiative for Electronic Simulations with Thousands of Atoms) SIESTA code. All calculations were carried out employing the used method at the Gaussian 09 package of programs. It was reported the main point for research on dominance of the bandgap of elongated pi-conjugated molecules by using different chemical groups replacing hydrogen atom in the most molecules that used in this work. The side groups creates another factor that controls the value of the band gap. The dihedral angle between the two phenyl rings plays more important role in controlling the band gap in these molecules.
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.
Let be a non-trivial simple graph. A dominating set in a graph is a set of vertices such that every vertex not in the set is adjacent to at least one vertex in the set. A subset is a minimum neighborhood dominating set if is a dominating set and if for every holds. The minimum cardinality of the minimum neighborhood dominating set of a graph is called as minimum neighborhood dominating number and it is denoted by . A minimum neighborhood dominating set is a dominating set where the intersection of the neighborhoods of all vertices in the set is as small as possible, (i.e., ). The minimum neighborhood dominating number, denoted by , is the minimum cardinality of a minimum neighborhood dominating set. In other words, it is the
... Show MoreAbstract The study aimed at reviewing translation theories proposed to address problems in translation studies. To the end, translation theories and their applications were reviewed in different studies with a focus on issues such as critical discourse analysis, cultural specific items and collocation translation.
The synthesis and characterisation of new macrocyclic binuclear metal(II) complexes derived from dithiocarbamate (DTC) ligand are reported. The reaction of a bis-secondary amine, CS2 and KOH resulted in the formation of the free ligand. Two approaches were implemented to synthesis the macrocyclic bis(dithiocarbamate) complexes; (i) from the reaction of the free ligand with a metal ion, and (ii) via a one-pot reaction. In the free ligand approach, complexes were obtained by the reaction of dithiocarbamate salt with the metal ions; CoII, ZnII and CdII. However, the one-pot reaction is based on the mixing of the bissecondary amine, CS2, KOH and metal(II) chloride. Physico-chemical analyses were implemented to characterise the ligand and its
... Show MoreChromium oxide (Cr2O3) doped ZnO nanoparticles were prepared by pulsed laser deposition (PLD) technique at different concentration ratios (0, 3, 5, 7 and 9 wt %) of ZnO on glass substrate. The effects of ZnO dopant on the average crystallite size of the synthesized nanoparticles was examined By X-ray diffraction. The morphological features were detected using atomic force microscopy (AFM). The optical band gap value was observed to range between 2.78 to 2.50 eV by UV-Vis absorption spectroscopy, with longer wavelength shifted in comparison with that of the bulk Cr2O3 (~3eV). Gas sensitivity, response, and recovery times of the sensor in the presence of NH3
... Show MoreThe aim of this paper is to determine the capability of the ultrasonic technique to predicate and evaluate some elastic and geotechnical properties within sand stone layers. For this purpose, 15 rock samples were collected from Tanjero Formation that is exposed in Dokan area, northeastern Iraq. Elastic wave velocities (Vp and Vs) and density (P) values for rock samples were determined by applying laboratory testing. From Vp, Vs, and density values, the porosity, elastic modulus, and some geotechnical parameters were calculated. The relationship between P wave velocity and elastic properties of samples was derived. Empirical equations were obtained by applying the regression analyses between Vp and the measured
... Show MoreIn this research we been estimated the survival function for data suffer from the disturbances and confusion of Iraq Household Socio-Economic Survey: IHSES II 2012 , to data from a five-year age groups follow the distribution of the Generalized Gamma: GG. It had been used two methods for the purposes of estimating and fitting which is the way the Principle of Maximizing Entropy: POME, and method of booting to nonparametric smoothing function for Kernel, to overcome the mathematical problems plaguing integrals contained in this distribution in particular of the integration of the incomplete gamma function, along with the use of traditional way in which is the Maximum Likelihood: ML. Where the comparison on the basis of the method of the Cen
... Show MoreIn this research want to make analysis for some indicators and it's classifications that related with the teaching process and the scientific level for graduate studies in the university by using analysis of variance for ranked data for repeated measurements instead of the ordinary analysis of variance . We reach many conclusions for the
important classifications for each indicator that has affected on the teaching process. &nb
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