Electronic Resource
New York, NY [u.a.]
:
Wiley-Blackwell
Journal of Computational Chemistry
9 (1988), S. 455-459
ISSN:
0192-8651
Keywords:
Computational Chemistry and Molecular Modeling
;
Biochemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Computer Science
Notes:
An algorithm for finding rings in graphs is presented. The algorithm is based on the Welch-Assembly-Gibbs algorithm of Wipke and Dyott but using the homeomorphically reduced pruned graph (the extension of HRG of Balaban et al). The algorithm is able to generate both the fundamental set of rings and all possible rings in a given graph. The time and storage needs are superior to both underlying algorithms. The CPU times of the old and new algorithms are given.
Additional Material:
10 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jcc.540090503
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