Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs a

Eight different Dichloro(bis{2-[1-(4-R-phenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})iron(II) compounds, 2–9, have been synthesised and characterised, where group R=CH3 (L2), OCH3 (L3), COOH (L4), F (L5), Cl (L6), CN (L7), H (L8) and CF3 (L9). The single crystal X-ray structure was determined for the L3 which was complemented with Density Functional Theory calculations for all complexes. The structure exhibits a distorted octahedral geometry, with the two triazole ligands coordinated to the iron centre positioned in the equatorial plane and the two chloro atoms in the axial positions. The values of the FeII/III redox couple, observed at ca. −0.3 V versus Fc/ Fc+ for complexes 2–9, varied over a very small potential range of 0.05 V.

The reaction of 2-amino-benzothiazole with bis [O,O-2,3,O,O – 5,6 – (chloro(carboxylic) methiylidene) ] – L – ascorbic acid (L-AsCl2) gave new product 3-(Benzo[d]Thaizole-2-Yl) – 9-Oxo-6,7,7a,9-Tertrahydro-2H-2,10:4,7-Diepoxyfuro [3,2-f][1,5,3] Dioxazonine – 2,4 (3H) – Dicarboxylic Acid, Hydro-chloride (L-as-am)), which has been insulated and identified by (C, H, N) elemental microanalysis (Ft-IR),(U.v–vis), mass spectroscopy and H-NMR techniques. The (L-as am) ligand complexes were obtained by the reaction of (L-as-am) with [M(II) = Co,Ni,Cu, and Zn] metal ions. The synthesized complexes are characterized by Uv–Visible (Ft –IR), mass spectroscopy molar ratio, molar conductivity, and Magnetic susceptibility techniques. (

The aim of this paper is to generate topological structure on the power set of vertices of digraphs using new definition which is Gm-closure operator on out-linked of digraphs. Properties of this topological structure are studied and several examples are given. Also we give some new generalizations of some definitions in digraphs to the some known definitions in topology which are Ropen subgraph, α-open subgraph, pre-open subgraph, and β-open subgraph. Furthermore, we define and study the accuracy of these new generalizations on subgraps and paths.

The soft sets were known since 1999, and because of their wide applications and their great flexibility to solve the problems, we used these concepts to define new types of soft limit points, that we called soft turning points.Finally, we used these points to define new types of soft separation axioms and we study their properties.

In this thesis, we study the topological structure in graph theory and various related results. Chapter one, contains fundamental concept of topology and basic definitions about near open sets and give an account of uncertainty rough sets theories also, we introduce the concepts of graph theory. Chapter two, deals with main concepts concerning topological structures using mixed degree systems in graph theory, which is M-space by using the mixed degree systems. In addition, the m-derived graphs, m-open graphs, m-closed graphs, m-interior operators, m-closure operators and M-subspace are defined and studied. In chapter three we study supra-approximation spaces using mixed degree systems and primary object in this chapter are two topological

Many codiskcyclic operators on infinite-dimensional separable Hilbert space do not satisfy the criterion of codiskcyclic operators. In this paper, a kind of codiskcyclic operators satisfying the criterion has been characterized, the equivalence between them has been discussed and the class of codiskcyclic operators satisfying their direct summand is codiskcyclic. Finally, this kind of operators is used to prove that every codiskcyclic operator satisfies the criterion if the general kernel is dense in the space.

In this paper, a new type of supra closed sets is introduced which we called supra β*-closed sets in a supra topological space. A new set of separation axioms is defined, and its many properties are examined. The relationships between supra β*-Ti –spaces (i = 0, 1, 2)   are studied and shown with instances. Additionally, new varieties of supra β*-continuous maps have been taken into consideration based on the supra β*-open sets theory. 

In this paper, certain types of regularity of topological spaces have been highlighted, which fall within the study of generalizations of separation axioms. One of the important axioms of separation is what is called regularity, and the spaces that have this property are not few, and the most important of these spaces are Euclidean spaces. Therefore, limiting this important concept to topology is within a narrow framework, which necessitates the use of generalized open sets to obtain more good characteristics and preserve the properties achieved in general topology. Perhaps the reader will realize through the research that our generalization preserved most of the characteristics, the most important of which is the hereditary property. Two t

In this paper we define and study new concepts of fibrewise topological spaces over B namely, fibrewise closure topological spaces, fibrewise wake topological spaces, fibrewise strong topological spaces over B. Also, we introduce the concepts of fibrewise w-closed (resp., w-coclosed, w-biclosed) and w-open (resp., w-coopen, w-biopen) topological spaces over B; Furthermore we state and prove several Propositions concerning with these concepts.