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Problems In Chemical Graph Theory Related To The Merrifield-Simmons And Hosoya Topological Indices, William B. O'Reilly
Problems In Chemical Graph Theory Related To The Merrifield-Simmons And Hosoya Topological Indices, William B. O'Reilly
Electronic Theses and Dissertations
In some sense, chemical graph theory applies graph theory to various physical sciences. This interdisciplinary field has significant applications to structure property relationships, as well as mathematical modeling. In particular, we focus on two important indices widely used in chemical graph theory, the Merrifield-Simmons index and Hosoya index. The Merrifield-Simmons index and the Hosoya index are two well-known topological indices used in mathematical chemistry for characterizing specific properties of chemical compounds. Substantial research has been done on the two indices in terms of enumerative problems and extremal questions. In this thesis, we survey known extremal results and consider the generalized …
Inverse Problems Related To The Wiener And Steiner-Wiener Indices, Matthew Gentry
Inverse Problems Related To The Wiener And Steiner-Wiener Indices, Matthew Gentry
Electronic Theses and Dissertations
In a graph, the generalized distance between multiple vertices is the minimum number of edges in a connected subgraph that contains these vertices. When we consider such distances between all subsets of $k$ vertices and take the sum, it is called the Steiner $k$-Wiener index and has important applications in Chemical Graph Theory. In this thesis we consider the inverse problems related to the Steiner Wiener index, i.e. for what positive integers is there a graph with Steiner Wiener index of that value?
Structure Vs. Properties Using Chemical Graph Theory, Tabitha N. Williford
Structure Vs. Properties Using Chemical Graph Theory, Tabitha N. Williford
Electronic Theses and Dissertations
Chemical graph theory began as a way for mathematicians to bring together the areas of the Physical Sciences and Mathematics. Through its use, mathematicians are able to model chemical systems, predict their properties as well as structure-property relationships. In this dissertation, we consider two questions involving chemical graph theory and its applications. We first look at tree-like polyphenyl systems, which form an important family of compounds in Chemistry, particularly in Material Science. The importance can be seen in LEDs, transmitters, and electronics. In recent years, many extremal results regarding such systems under specific constraints have been reported. More specifically are …