Journal of Chemical Software
Online ISSN : 1883-8359
Print ISSN : 0918-0761
ISSN-L : 0918-0761
Original Papers
Algorithm for Kekulé Structure Counting in Fullerene Molecules
Susumu NARITATetsuo MORIKAWATai-ichi SHIBUYA
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2001 Volume 7 Issue 3 Pages 99-102

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Abstract

A computer program written in the Fortran 77 language is given, which enumerates Kekulé structures in fullerene molecules. It is easy to compute the Pauling bond order for each bond of the fullerene molecules by means of the program because the new algorithm is applicable to substructures in the molecules.

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© 2001 by the Chemical Software Society of Japan
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