On Generalized Topological Indices of Silicon-Carbon

Wang, Xinglong; Liu, Jia‐Bao; Jahanbani, Akbar; Siddiqui, Muhammad Kamran; Rad, Nader Jafari; Hasni, Roslan

doi:10.1155/2020/2128594

Cited by 5 publications

(3 citation statements)

References 25 publications

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“…erefore, the evaluation of the formulae of different TIs describe several features of molecular structures quantitatively, for example, see [3,4]. e molecular graph consists of vertices and edges, where vertices represent the atoms in the molecule and edges are the chemical bonds between atoms.…”

Section: Introductionmentioning

confidence: 99%

On Entropy Measures and Eccentricity-Based Descriptors of Polyamidoamine (PAMAM) Dendrimers

Hui

Fahad

Qureshi

et al. 2022

Journal of Chemistry

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Topological indices (TIs) assign a numeric value to a graph or a molecular structure. Due to their ability to predict the physiochemical properties of a molecular graph, several TIs have been introduced and studied, mainly based on degree and distance. For a vertex v , the maximum distance of v from any other vertex in a graph G is called the eccentricity of v , which is denoted by σ v , in G . The eccentricity of vertices gained special attention among the distance-based or degree-distance based TIs. An important TI in the class of eccentricity-dependent TIs is an eccentricity-entropy index. Furthermore, other eccentricity-dependent TIs such as eccentric-connectivity index, total-eccentricity index, and the first Zagreb index have also been extensively studied. On the other hand, dendrimers came out as unique polymeric macromolecules because of extensively branched three-dimensional architectural characteristics. This structure design prepares for various unique properties of dendrimers, including monodispersity, multivalency, uniform size, globular shape, water solubility with hydrophobic internal cavities, and a high degree of branching. These properties make them attractive candidates for different applications. PAMAM (polyamidoamine) dendrimers are promising polymers that can be successfully used in various biomedical applications. The PAMAM dendrimers having different structures such as a primary amine as the end group or porphyrin core have been studied through graph-theoretic parameters. This paper studies these two types of PAMAM dendrimers through eccentricity-dependent parameters. In particular, we establish formulae of eccentricity entropy for two types of PAMAM dendrimers. Moreover, we also derive analytic formulae of some other significant TIs from the class of eccentricity-dependent TIs. Furthermore, we apply graphical tools to demonstrate the trends of the values in the obtained results.

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Section: Introductionmentioning

confidence: 99%

On Entropy Measures and Eccentricity-Based Descriptors of Polyamidoamine (PAMAM) Dendrimers

Hui

Fahad

Qureshi

et al. 2022

Journal of Chemistry

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“…ere is an enormous study discussed in the literature and few are cited here. For example, the structural properties of silicon carbide with di erent topologies can be found in [4,5]. e edge dividing method for nding the topological descriptors are available in [6,7].…”

Section: Introductionmentioning

confidence: 99%

Topological Descriptors for the Metal Organic Network and Its Structural Properties

Ahmad

Elahi

Azeem

et al. 2022

Journal of Mathematics

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Metal organic structures and networks are extensively studied in modern chemistry. These networks are extremely adaptable and useful in a variety of fields. Metal organic networks are thought to be the home of gases, and this structure is also engaged in gas purification and separation. The fact that they have so much utility and applicability stems from that they have so many distinct properties, such as exchanging ions and altering organic ligands. This structure’s chemical and physical properties are considered. There are extensive, time-consuming, and costly experiments available to investigate these physical and chemical properties. To avoid these complex experiments and tests, a mathematical study provides approximate details of these chemical and physical behaviors of a structure, which is known as topological descriptors. In this work, we discussed the metal organic network’s line graph and studied the structural properties of the resulted network with the help of topological descriptors.

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“…Several papers have been devoted to the study of silicon, carbon-based structures, for details, see [24][25][26].…”

Section: Introductionmentioning

confidence: 99%

On Face Index of Silicon Carbides

Zhang

Raza

Fahad

et al. 2020

Discrete Dynamics in Nature and Society

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Several graph invariants have been defined and studied, which present applications in nanochemistry, computer networks, and other areas of science. One vastly studied class of the graph invariants is the class of the topological indices, which helps in the studies of chemical, biological, and physical properties of a chemical structure. One recently introduced graph invariant is the face index, which can assist in predicting the energy and the boiling points of the certain chemical structures. In this paper, we drive the analytical closed formulas of face index of silicon carbides Si2C3−Ia,b, Si2C3−IIa,b, Si2C3−IIIa,b, and SiC3−IIIa,b.

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On Generalized Topological Indices of Silicon-Carbon

Cited by 5 publications

References 25 publications

On Entropy Measures and Eccentricity-Based Descriptors of Polyamidoamine (PAMAM) Dendrimers

On Entropy Measures and Eccentricity-Based Descriptors of Polyamidoamine (PAMAM) Dendrimers

Topological Descriptors for the Metal Organic Network and Its Structural Properties

On Face Index of Silicon Carbides

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