A Graphical Model of a Class of Molecules
- 9 July 1973
- journal article
- research article
- Published by Taylor & Francis in International Journal of Mathematical Education in Science and Technology
- Vol. 4 (3) , 233-240
- https://doi.org/10.1080/0020739730040302
Abstract
It is shown that a class of planar conjugated hydrocarbon molecules can be modelled in terms of a simple graph and the related adjacency matrix. Various physical and chemical properties are related to properties of the graphs. The resonance energy is related to such simple invariants as the total number of CC links and the number of Kekulé structures. Rules for enumerating these structures are described.Keywords
This publication has 4 references indexed in Scilit:
- Localized ?-orbitals, pauling bond orders, and the origin of aromatic stabilityTheoretical Chemistry Accounts, 1971
- Mobile Bond Orders in the Resonance and Molecular Orbital TheoriesThe Journal of Chemical Physics, 1958
- The bond orders of some conjugated hydrocarbon moleculesTransactions of the Faraday Society, 1957
- Theory of Resonance Topology of Fully Aromatic Hydrocarbons. IThe Journal of Chemical Physics, 1952