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Topological Indices and Their Applications to Circumcised Donut Benzenoid Systems, Kekulenes and Drugs
M. Arockiaraj, , K. Balasubramanian
Published in Taylor and Francis Inc.
2020
Volume: 40
   
Issue: 2
Pages: 280 - 303
Abstract
This paper describes a new technique to compute topological indices of donut benzenoids and Kekulenes with applications to drugs by dissecting the original topological network into smaller strength-weighted quotient graphs relative to the transitive closure of the Djokovi (Formula presented.) –Winkler relation. We have applied this technique to a series of donut benzenoid graphs obtained by circumcising at least two internal hexagons from parent benzenoid graphs. Such donut coronoid graph finds significant applications in emerging chemical materials of importance to synthetic organic chemistry and drug industry. It comprised of donut coronoid structures such as Kekulenes and related circumscribed structures where a number of graph-theoretical based techniques, such as resonance theory and Clar’s sextets. In this work, we have computed a number of topological indices of these donut coronoid systems such as the Wiener index, variants of Szeged, Schultz and Gutman indices. © 2017, © 2017 Taylor & Francis Group, LLC.
About the journal
JournalData powered by TypesetPolycyclic Aromatic Compounds
PublisherData powered by TypesetTaylor and Francis Inc.
ISSN10406638