Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons

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ID: 295366
1971
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Abstract
Abstract A topological index Z is proposed for a connected graph G representing the carbon skeleton of a saturated hydrocarbon. The integer Z is the sum of a set of the numbers p(G,k), which is the number of ways in which such k bonds are so chosen from G that no two of them are connected. For chain molecules Z is closely related to the characteristic polynomial derived from the topological matrix. It is found that Z is correlated well with the topological nature of the carbon skeleton, i.e., the mode of branching and ring closure. Some interesting relations are found, such as a graphical representation of the Fibonacci numbers and a composition principle for counting Z. Correlation of Z with boiling points of saturated hydrocarbons is pointed out.
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Authors Haruo Hosoya
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Journal bulletin of the chemical society of japan
Year 1971
DOI
10.1246/bcsj.44.2332
URL
http://www.journal.csj.jp/doi/pdf/10.1246/bcsj.44.2332
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