Construction of discrete structures, especially isomers
type: Item
instance of: scholarly article
title: Construction of discrete structures, especially isomers
zbMATH Open document ID: 0848.05060
DOI: 10.1016/0166-218X(95)00013-H
author: R. Grund
author: Adalbert Kerber
author: Reinhard Laue
published in: Discrete Applied Mathematics
publication date: 1996-10-01T00:00:00Z
review text: The authors consider the problem of enumerating isomers with a given composition. Each isomer corresponds to a graph---the vertices of the graph correspond to the atoms, and the bounds to the linkages---valence 1 for carbon atoms, two for oxygen atoms, one for hydrogen atoms, etc. It is shown how the enumeration subject to constraints reduces to a problem in combinatorial group theory: some actual results are given and various general results proved, in particular the ``gluing lemma'' that relates the groups of two sets of objects to the group of the combined set by an ``outer product'' relation.
Mathematics Subject Classification ID: 05C90
Mathematics Subject Classification ID: 92E10
zbMATH DE Number: 897420
zbMATH Keywords: isomers
zbMATH Keywords: enumeration
reviewed by: H. N. V. Temperley
describes a project that uses: MOLGEN
MaRDI profile type: Publication
cites work: Constructive graph labeling using double cosets
cites work: Q3480099
cites work: Q3142320
cites work: Q4015432
cites work: Q3211514
cites work: On Realizability of a Set of Integers as Degrees of the Vertices of a Linear Graph. I
cites work: On groups of automorphisms.
cites work: Q3999472
cites work: Isomorphism classes of cycle permutation graphs
cites work: Q3936898
cites work: Q3143073
cites work: Q3338422
cites work: Every one a Winner or how to Avoid Isomorphism Search when Cataloguing Combinatorial Configurations
cites work: The t‐designs with prescribed automorphism group, new simple 6‐designs
description: scientific article; zbMATH DE number 897420