On Topological Indices of Certain Families of Nanostar Dendrimers

“…[4][5][6] Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. In other words, by specifies the vertices, edges, and degree vertices graph of the molecular structure, it certain the properties of the chemistry of this structure using mathematical methods.…”

Section: Introductionmentioning

confidence: 99%

“…[4][5][6] Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. In this article, we compute the redefined first Zagreb index, redefined second Zagreb index, redefined third Zagreb index, augmented Zagreb index of graphs carbon nanocones CNC k [n], and nanotori [C 4 C 6 C 8 (p,q)].…”

mentioning

confidence: 99%

On topological indices of carbon nanocones and nanotori

Jahanbani

2019

Int J of Quantum Chemistry

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Let G be a graph with n vertices and d i is the degree of its ith vertex (d i is the degree of v i ). In this article, we compute the redefined first Zagreb index, redefined second Zagreb index, redefined third Zagreb index, augmented Zagreb index of graphs carbon nanocones CNC k [n], and nanotori [C 4 C 6 C 8 (p,q)]. Also, compute the multiplicative redefined first Zagreb index, multiplicative redefined second Zagreb index, multiplicative redefined third Zagreb index, multiplicative augmented Zagreb index of carbon nanocones CNC k [n], and nanotori [C 4 C 6 C 8 (p,q)]. K E Y W O R D Saugmented Zagreb index, carbon nanocones, nanotori, re-defined Zagreb index, topological index 1 | INTRODUCTION Mathematical chemistry is a branch of theoretical chemistry that investigate the molecular structure using graph theory. In other words, by specifies the vertices, edges, and degree vertices graph of the molecular structure, it certain the properties of the chemistry of this structure using mathematical methods. These methods solve many of the problems of chemistry. The theory of chemical graphs is a branch of mathematical chemistry, in fact, graph theory is connectivity between chemistry and mathematics, and solves many of the difficult problems of mathematical chemistry using graph theory, for more details you can see References [1-3] The topologic index is known as a connection index, in fact, the topology index describes the chemical composition based on the molecular structure. [4][5][6] Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. Topological indices are used for example in the development of quantitative structure-activity relationships (QSARs) in which the biological activity or other properties of molecules are correlated with their chemical structure. [7] Writing the mathematical model of a problem in various science is a helpful tool which helps a great deal to their progress. As an example, a graph can be drawn in chemistry based on atoms and the existing bonds between them for every molecule and the graph mathematical models can be defined in order to analyze the molecule. Topological indices are one of the mathematical models that can be defined by assigning a real number to the chemical molecule.Topological indices of large chemical structures such as metal organic frameworks can be extremely useful in both characterization of structures and computing their physicochemical properties that are otherwise difficult to compute for such large networks of importance in reticular chemistry. Synthesis of novel reticular metal-organic frameworks and networks in which covalent fibers are weaved into crystals are becoming increasingly important in recent years. [8,9] Topological indices numerically represent the structural characteristics of molecules that are obtained by the use of graph-theoretical concepts applied to these large networks of interest in reticular chemistry. In addition, the mathematical techniques comprising of group theory a...

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“…[5][6][7] The latter are now classified in different types according to a series of criteria. [8][9][10][11][12][13][14][15][16][17] The intrinsic properties of the dendritic organic moiety 10,[18][19][20] are designed according to the targeted applications [21][22][23][24] or to confer specific features to the hybrid materials when supported on inorganic supports. [25][26][27][28][29][30][31][32][33][34] In the area including energy and green chemistry, recently, major advances have been made in this regard by synthesizing metalorgano-aluminosilicates through in-situ synthesis of metal nanoparticles within the entanglements of supported dendrimers.…”

Section: Abdelkrim Azzouz and René Roymentioning

confidence: 99%