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Discrete Mathematics and Combinatorics

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Problems In Chemical Graph Theory Related To The Merrifield-Simmons And Hosoya Topological Indices, William B. O'Reilly Jan 2024

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 …


Graph Invariants Of Trees With Given Degree Sequence, Rachel Bass Jan 2017

Graph Invariants Of Trees With Given Degree Sequence, Rachel Bass

Electronic Theses and Dissertations

Graph invariants are functions defined on the graph structures that stay the same under taking graph isomorphisms. Many such graph invariants, including some commonly used graph indices in Chemical Graph Theory, are defined on vertex degrees and distances between vertices. We explore generalizations of such graph indices and the corresponding extremal problems in trees. We will also briefly mention the applications of our results.