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

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

DOI: 10.1007/BF01200820

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

参考文章(24)
J. Brocas, The Permutational approach to dynamic stereochemistry / J. Brocas, M. Gielen, R. Willem 1. STEREOKIMIA - MODEL MATEMATIKA,The Permutational approach to dynamic stereochemistry / J. Brocas, M. Gielen, R. Willem. ,vol. 1983, pp. 1- 99 ,(1983)
Alexandru Teodor Balaban, Marcel Gielen, Applications of graph theory to organometallic chemistry Academic Press. pp. 261- 298 ,(1976)
Thomas D. Bouman, Carl Trindle, Group-theoretical analysis of carbonium ion rearrangements: The barbaralyl cation Theoretical Chemistry Accounts. ,vol. 37, pp. 217- 231 ,(1975) , 10.1007/BF00548091
I. A. Faradžev, A. A. Ivanov, M. H. Klin, Galois correspondence between permutation groups and cellular rings (association schemes) Graphs and Combinatorics. ,vol. 6, pp. 303- 332 ,(1990) , 10.1007/BF01787700
Gerhard Schröder, Synthese und Eigenschaften von Tricyclo[ 3.3.2.04.6]decatrien-(2.7.9)2.3)(Bullvalen) Chemische Berichte. ,vol. 97, pp. 3140- 3149 ,(1964) , 10.1002/CBER.19640971125
Cynthia A Brown, Larry Finkelstein, Paul W Purdom, Jr, A new base change algorithm for permutation groups SIAM Journal on Computing. ,vol. 18, pp. 1037- 1047 ,(1989) , 10.1137/0218070
L A Kalužnin, M H Klin, ON CERTAIN MAXIMAL SUBGROUPS OF SYMMETRIC AND ALTERNATING GROUPS Mathematics of The Ussr-sbornik. ,vol. 16, pp. 95- 123 ,(1972) , 10.1070/SM1972V016N01ABEH001352