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

doi:10.1007/BF01200820

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

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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 language	English
Pages (from-to)	135-151
Number of pages	17
Journal	Journal of Mathematical Chemistry
Volume	7
Issue number	1
DOIs	https://doi.org/10.1007/BF01200820
State	Published - 1 Jan 1991
Externally published	Yes

ASJC Scopus subject areas

General Chemistry
Applied Mathematics

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10.1007/BF01200820

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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?",

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Group-theoretical approach to the investigation of reaction graphs for highly degenerate rearrangements of chemical compounds I. Criterion of the connectivity of a graph. / Klin, Mikhail H.; Tratch, Serge S.; Zefirov, Nikolai S.
In: Journal of Mathematical Chemistry, Vol. 7, No. 1, 01.01.1991, p. 135-151.

Research output: Contribution to journal › Article › peer-review

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AU - Klin, Mikhail H.

AU - Tratch, Serge S.

AU - Zefirov, Nikolai S.

PY - 1991/1/1

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AB - 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?

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

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