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The theory of the HMO total π-electron energy (E) of benzenoid hydrocarbons is surveyed with particular emphasis on the research of its dependence on molecular structure. Identities, bounds and approximate formulas for E are considered. The dependence of E on the size of the molecule and on the number of Kekulé structures is discussed in detail. The effect of cycles on E, and six-membered rings in...
Various molecular graphs i.e. graphs which represent chemical structures are described. A number of graph polynomials which are of interest in chemical applications are pointed out and some of their properties discussed. Emphasis is given to the computational aspects of the theory of these polynomials.
The article reports investigations of the “topological” properties of benzenoid molecules which the author has performed in the last 20 years. Emphasis is given on recent developments and other scientists' contributions to these researches. Topics covered in recent books and reviews are avoided. The article outlines spectral properties, some aspects of the study of Kekulé and Clar structures, the...
This chapter contains sections titled:
Introduction
Bounds for the Energy of Graphs
Hyperenergetic, Hypoenergetic, and Equienergetic Graphs
Graphs Extremal with Regard to Energy
Miscellaneous
Concluding Remarks
References
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