NOMENCLATURE AND CODING OF FULLERENES

Citation
D. Babic et al., NOMENCLATURE AND CODING OF FULLERENES, Journal of chemical information and computer sciences, 35(3), 1995, pp. 515-526
Citations number
37
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
ISSN journal
00952338
Volume
35
Issue
3
Year of publication
1995
Pages
515 - 526
Database
ISI
SICI code
0095-2338(1995)35:3<515:NACOF>2.0.ZU;2-1
Abstract
An algorithm for deriving IUPAC names of fullerenes is described. Seve ral possible ways for coding of fullerenes are also discussed: the kno wn spiral ring code and its modified version, the Weinberg code, the c ode derived from the Eulerian trail, the code derived from the Brugess er-Mani theorem, two others based on a Hamiltonian cycle and a Hamilto nian path, and the code based on a path-cotree. A special nomenclature for fullerenes and their derivatives is under consideration in CAS an d IUPAC bodies, based upon a spiral passing through all atoms in a mol ecule. Some isomers relevant for this scheme are pointed out: two high ly symmetric isomers with no such spiral and one isomer with such a sp iral in only one direction.