Group-theoretical approach to the investigation of reaction graphs for highly degenerate rearrangements of chemical compounds I. Criterion of the connectivity of a graph

Mikhail H. Klin, Serge S. Tratch, Nikolai S. Zefirov

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

We give a necessary and sufficient condition for a reaction graph of a degenerate rearrangement to be connected. This condition is formulated in terms of vertex stabilizers of the automorphism group of a molecular graph. The condition is illustrated on several examples, including the reaction graph of bullvalene. We consider different mathematical models for the construction of reaction graphs and state the problem: which of the models is more adequate?

Original languageEnglish
Pages (from-to)135-151
Number of pages17
JournalJournal of Mathematical Chemistry
Volume7
Issue number1
DOIs
StatePublished - 1 Dec 1991
Externally publishedYes

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