Pe. John et al., AN ALGORITHM FOR COUNTING SPANNING-TREES IN LABELED MOLECULAR GRAPHS HOMEOMORPHIC TO CATA-CONDENSED SYSTEMS, Journal of chemical information and computer sciences, 38(2), 1998, pp. 108-112
Citations number
28
Categorie Soggetti
Computer Science Interdisciplinary Applications","Computer Science Information Systems","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
The algorithmic method of Gutman and Mallion (1993), for calculating t
he number of spanning trees in the (labeled) molecular graphs of cata-
condensed systems containing rings of only one size, was subsequently
generalized by John and Mallion (1996) to make it applicable to such s
ystems comprising rings of more than one size; this latter algorithm i
s thus generally valid for enumerating the spanning trees in the molec
ular graphs of any cata-condensed system. This algorithmic philosophy
is extended here in order to devise a procedure that is suitable for a
n even more general class of molecular graphs-namely, those homeomorph
ic to the molecular graphs of cata-condensed systems. An example of it
s use is illustrated by explicitly computing the numerical value for t
he complexity of a (hypothetical) pentacyclic network consisting of tw
o four-membered rings, two five-membered rings, and a nine-membered ri
ng, giving rise to a spanning-tree count entirely in accord with that
predicted via the theorem of Gutman, Mallion, and Essam (1983)-on the
face of it, an apparently very different approach, based on the ''gene
ralized characteristic polynomial'' of the inner dual of the graph in
question.