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.
The problem of dark matter in galaxies is still one of the most important unsolved problems in the contemporary extragalactic astronomy and cosmology. The existence of a significant dynamic difference between the visible mass and the conventional mass of galaxies firmly establishes observational result. In this paper an unconventional explanation will be tested as an alternative to the cold dark matter hypothesis; which is called the modified Newtonian dynamics (MOND).
In this paper covers the simulation of galactic evolutions; where the two hypotheses are tested via the rotation curves. N-body simulation was carried adopting different configuration lik
Abstract:
the system of Administrative Control in organizations meets the need to check on the optimal use and proper resources and conservation to achieve the objectives sought by the organization, hence the system of Administrative Control is part of the overall system in any organization that has undergone evolution always to be able to keep up with progress in the development of other sciences, and that the growth of coherence between subordinates in the organization means the ability to influence the opinions, ideas and attitudes to change it for directions the organization and its values and this is reflected positively on the coherence of the organization, the researcher interest of the imp
As regional development, as a matter of course, poses a number of systemic, scientific and political problems. While the issue of development is primarily at the national level to the limits of World War II in the industrialized world and to the 1960s borders in most Third World countries, the increasing awareness of regional disparities has led to the regional issue Were taken into consideration in the early 1960s and 1970s in most industrialized and developing countries alike. The local issue was only introduced in the early 1980s. The awareness of regional disparities and the fact that the regions do not have the same potential and that some regions have the resources to enable them to develop, grow and develop, unlike other r
... Show MoreLet M be a n-dimensional manifold. A C1- map f : M M is called transversal if for all m N the graph of fm intersect transversally the diagonal of MM at each point (x,x) such that x is fixed point of fm. We study the minimal set of periods of f(M per (f)), where M has the same homology of the complex projective space and the real projective space. For maps of degree one we study the more general case of (M per (f)) for the class of continuous self-maps, where M has the same homology of the n-dimensional sphere.
Relation on a set is a simple mathematical model to which many real-life data can be connected. A binary relation on a set can always be represented by a digraph. Topology on a set can be generated by binary relations on the set . In this direction, the study will consider different classical categories of topological spaces whose topology is defined by the binary relations adjacency and reachability on the vertex set of a directed graph. This paper analyses some properties of these topologies and studies the properties of closure and interior of the vertex set of subgraphs of a digraph. Further, some applications of topology generated by digraphs in the study of biological systems are cited.
In this paper, the Normality set will be investigated. Then, the study highlights some concepts properties and important results. In addition, it will prove that every operator with normality set has non trivial invariant subspace of .
The purpose of this paper is to study the instability of the zero solution of some type of nonlinear delay differential equations of fourth order by using the Lyapunov-Krasovskii functional approach; we obtain some conditions of instability of solution of such equation.
The purpose of this paper is to study the instability of the zero solution of some type of nonlinear delay differential equations of fifth order with delay by using the Lyapunov-Krasovskii functional approach, we obtain some conditions of instability of solution of such equation.