NOMENCLATURE AND CODING OF FULLERENES Academic Article

abstract

• An algorithm for deriving IUPAC names of fullerenes is described. Several possible ways for coding of fullerenes are also discussed: the known spiral ring code and its modified version, the Weinberg code, the code derived from the Eulerian trail, the code derived from the Brugesser-Mani theorem, two others based on a Hamiltonian cycle and a Hamiltonian path, and the code based on a path-cotree. A special nomenclature for fullerenes and their derivatives is under consideration in CAS and IUPAC bodies, based upon a spiral passing through all atoms in a molecule. Some isomers relevant for this scheme are pointed out: two highly symmetric isomers with no such spiral and one isomer with such a spiral in only one direction. 1995, American Chemical Society. All rights reserved.

authors

• Klein, Douglas

published proceedings

• JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES

author list (cited authors)

• BABIC, D., BALABAN, A. T., & KLEIN, D. J.

citation count

• 17

complete list of authors

• BABIC, D||BALABAN, AT||KLEIN, DJ

publication date

• May 1995

publisher

• American Chemical Society (ACS)  Publisher

published in

• n0095-2338ISSN  Journal

keywords

• 34 Chemical Sciences
• 3404 Medicinal And Biomolecular Chemistry
• 3407 Theoretical And Computational Chemistry

Digital Object Identifier (DOI)

• 10.1021/ci00025a020

start page

• 515

end page

• 526

volume

• 35

issue

• 3

URL

• http://dx.doi.org/10.1021/ci00025a020