Mean Wiener numbers and other mean extensions for alkane trees

Authors
Bytautas, L Klein, DJ
Citation
L. Bytautas et Dj. Klein, Mean Wiener numbers and other mean extensions for alkane trees, J CHEM INF, 40(2), 2000, pp. 471-481
Citations number
41
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
ISSN journal
00952338 → ACNP
Volume
40
Issue
2
Year of publication
2000
Pages
471 - 481
Database
ISI
SICI code
0095-2338(200003/04)40:2<471:MWNAOM>2.0.ZU;2-9
Abstract
The "Wiener number" (the sum over intersite graph distances of a structure) as averaged over all alkane structural isomers of a fixed number N of carb on atoms is considered. This and several other measures of average graphica l "extension" of N-site alkanes are computed for N up to 90 (where there ar e over 10(35) such isomers). Fits are then made for several surmised or der ived asymptotic forms, and a heuristic argument is made relating these resu lts to geometric extensions of a random mix of (N-site) alkanes.