Results 21 to 30 of about 38,380 (256)
Generalized Zagreb index of some dendrimer structures
Universal Journal of Mathematics and Applications, 2018 Chemical graph theory, is a branch of mathematical chemistry which deals with the nontrivial applications of graph theory to solve molecular problem. A chemical graph is represent a molecule by considering the atoms as the vertices and bonds between them
Anita Pal +3 more
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Application of Chemical Graph Theory for Automated Mechanism Generation [PDF]
Journal of Chemical Information and Computer Sciences, 2002 We present an application of the chemical graph theory approach for generating elementary reactions of complex systems. Molecular species are naturally represented by graphs, which are identified by their vertices and edges where vertices are atom types and edges are bonds. The mechanism is generated using a set of reaction patterns (sub-graphs). These
Artur Ratkiewicz, Thanh N. Truong
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Topological Descriptors on Some Families of Graphs
Journal of Chemistry, 2021 In view of the successful applications of graph theory, relationships between the biological activity and chemical structure have been developed. One of the popular topics in graph theory is problems relating to topological indices.
Iftikhar Ahmad +3 more
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On Computation of Edge Degree-Based Banhatti Indices of a Certain Molecular Network
Journal of Mathematics, 2021 Chemical graph theory deals with the basic properties of a molecular graph. In graph theory, we correlate molecular descriptors to the properties of molecular structures.
Jiang-Hua Tang +6 more
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TOPOLOGY INDEX OF THE COPRIME GRAPH FOR DIHEDRAL GROUP OF PRIME POWER ORDER
Jurnal Diferensial, 2023 In the field of molecular chemistry, graph theory is utilized to represent the structure of a molecule, where the set of nodes corresponds to its chemical elements and the set of edges represents the bonds within the chemical molecule.
Marena Rahayu Gayatri +5 more
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Topological invariants for the line graphs of some classes of graphs
Open Chemistry, 2019 Graph theory plays important roles in the fields of electronic and electrical engineering. For example, it is critical in signal processing, networking, communication theory, and many other important topics.
Zhou Xiaoqing +5 more
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Topological Properties of Degree-Based Invariants via M-Polynomial Approach
Journal of Mathematics, 2022 Chemical graph theory provides a link between molecular properties and a molecular graph. The M-polynomial is emerging as an efficient tool to recover the degree-based topological indices in chemical graph theory.
Samirah Alsulami +4 more
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Metric and Fault-Tolerant Metric Dimension of Hollow Coronoid
IEEE Access, 2021 Coronoid systems actually arrangements of hexagons into six sides of benzenoids. By nature, it is an organic chemical structure. Hollow coronoids are primitive and catacondensed coronoids. It is also known as polycyclic conjugated hydrocarbons.
Ali N. A. Koam +3 more
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The (a,b)-Zagreb index of line graphs of subdivision graphs of some molecular structures
International Journal of Mathematics for Industry, 2020 A graph is a mathematical model used to predict the topology of a given system. In chemical graph theory, a graph is designed by considering atoms as vertices and edges as bonds between atoms of a particular molecule.
Prosanta Sarkar, Anita Pal, Nilanjan De
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Graph Entropy of Some Special Chemical Graphs
مجلة بغداد للعلومChemical graph theory plays an important role in modelling molecules, especially examining physico-chemical properties of the chemical compounds. Alkanes are one of the chemical compounds which are made up of hydrogen and carbon atoms, generally known ...
B. I. Andrew, A Anuradha
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