Molecular Graph Theory

• Main Author: Johnson, Chase R
• Other Authors: Brigitte Servatius, Advisor
• Format: Others
• Published: Digital WPI 2010
• Subjects: Fullerenes; Zeolites
• Online Access: https://digitalcommons.wpi.edu/etd-theses/1179; https://digitalcommons.wpi.edu/cgi/viewcontent.cgi?article=2178&context=etd-theses

Graph Theory is a branch of mathematics that has a wealth of applications to other science and engineering disciplines, specifically Chemistry. The primary application of graphs to Chemistry is related to understanding of structure and symmetry at the molecular level. By projecting a molecule to the plane and examining it as a graph, a lot can be learned about the underlying molecular structure of a given compound. Using concepts of Graph Theory this masters project examines the underlying structures of two specific families of compounds, fullerenes and zeolites, from a chemical and mathematical perspective.