Book contents
- Frontmatter
- Contents
- Introduction
- 1 Groups and semigroups: connections and contrasts
- 2 Toward the classification of s-arc transitive graphs
- 3 Non-cancellation group computation for some finitely generated nilpotent groups
- 4 Permutation and quasi-permutation representations of the Chevalley groups
- 5 The shape of solvable groups with odd order
- 6 Embedding in finitely presented lattice-ordered groups: explicit presentations for constructions
- 7 A note on abelian subgroups of p-groups
- 8 On kernel flatness
- 9 On proofs in finitely presented groups
- 10 Computing with 4-Engel groups
- 11 On the size of the commutator subgroup in finite groups
- 12 Groups of infinite matrices
- 13 Triply factorised groups and nearrings
- 14 On the space of cyclic trigonal Riemann surfaces of genus 4
- 15 On simple Kn-groups for n = 5, 6
- 16 Products of Sylow subgroups and the solvable radical
- 17 On commutators in groups
- 18 Inequalities for the Baer invariant of finite groups
- 19 Automorphisms with centralizers of small rank
- 20 2-signalizers and normalizers of Sylow 2-subgroups in finite simple groups
- 21 On properties of abnormal and pronormal subgroups in some infinite groups
- 22 P-localizing group extensions
- 23 On the n-covers of exceptional groups of Lie type
- 24 Positively discriminating groups
- 25 Automorphism groups of some chemical graphs
- 26 On c-normal subgroups of some classes of finite groups
- 27 Fong characters and their fields of values
- 28 Arithmetical properties of finite groups
- 29 On prefrattini subgroups of finite groups: a survey
- 30 Frattini extensions and class field theory
- 31 The nilpotency class of groups with fixed point free automorphisms of prime order
25 - Automorphism groups of some chemical graphs
Published online by Cambridge University Press: 20 April 2010
- Frontmatter
- Contents
- Introduction
- 1 Groups and semigroups: connections and contrasts
- 2 Toward the classification of s-arc transitive graphs
- 3 Non-cancellation group computation for some finitely generated nilpotent groups
- 4 Permutation and quasi-permutation representations of the Chevalley groups
- 5 The shape of solvable groups with odd order
- 6 Embedding in finitely presented lattice-ordered groups: explicit presentations for constructions
- 7 A note on abelian subgroups of p-groups
- 8 On kernel flatness
- 9 On proofs in finitely presented groups
- 10 Computing with 4-Engel groups
- 11 On the size of the commutator subgroup in finite groups
- 12 Groups of infinite matrices
- 13 Triply factorised groups and nearrings
- 14 On the space of cyclic trigonal Riemann surfaces of genus 4
- 15 On simple Kn-groups for n = 5, 6
- 16 Products of Sylow subgroups and the solvable radical
- 17 On commutators in groups
- 18 Inequalities for the Baer invariant of finite groups
- 19 Automorphisms with centralizers of small rank
- 20 2-signalizers and normalizers of Sylow 2-subgroups in finite simple groups
- 21 On properties of abnormal and pronormal subgroups in some infinite groups
- 22 P-localizing group extensions
- 23 On the n-covers of exceptional groups of Lie type
- 24 Positively discriminating groups
- 25 Automorphism groups of some chemical graphs
- 26 On c-normal subgroups of some classes of finite groups
- 27 Fong characters and their fields of values
- 28 Arithmetical properties of finite groups
- 29 On prefrattini subgroups of finite groups: a survey
- 30 Frattini extensions and class field theory
- 31 The nilpotency class of groups with fixed point free automorphisms of prime order
Summary
Abstract
An Euclidean graph associated with a molecule is defined by a weighted graph with adjacency matrix M = [dij], where for i ≠ j, dij is the Euclidean distance between the nuclei i and j. In this matrix dii can be taken as zero if all the nuclei are equivalent. Otherwise, one may introduce different weights for distinct nuclei. In this paper we present some MATLAB and GAP programs and use them to find the automorphism group of the Bis Benzene Chromium(0) with D6d point group symmetry and the big fullerene C80.
AMS Subject Classification: 92E10.
Keywords: Euclidean graph, symmetry, Bis Benzene Chromium(0), fullerene.
Introduction
Let G = (V, E) be a simple graph. G is called a weighted graph if each edge e is assigned a non-negative number w(e), called the weight of e. The Euclidean graph of a molecule is a complete weighted graph in which the edges are weighted by the Euclidean distances of vertices.
An automorphism of a weighted graph G is a permutation g of the vertex set of G with the property that, (i) for any vertices u and v, g(u) and g(v) are adjacent if and only if u is adjacent to v; (ii) for every edge e, w(g(e)) = w(e). The set of all automorphisms of a weighted graph G, with the operation of composition of permutations, is a permutation group on V(G), denoted Aut(G).
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- Groups St Andrews 2005 , pp. 630 - 639Publisher: Cambridge University PressPrint publication year: 2007