J. Brocas, PROPERTIES OF REACTION GRAPHS FOR XEF6, Journal of chemical information and computer sciences, 35(1), 1995, pp. 92-99
Citations number
20
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
In this study of the automorphism group of some reaction graphs for Xe
F6 interconversions, there exists a close relation between these group
s and the algebraic structure of the modes of rearrangements of this m
olecule. Two of these groups are of big order (10(6) and 10(9)). The r
elation between the present reaction graphs and those for trigonal bip
yramids is discussed. In one case, the distance between enantiomers ap
pears to be smaller than the diameter of the graph.