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The Connection Between the Adjacency Matrix and the Boundary Code of Benzenoid Hydrocarbons

Jan V. Knop ; Computer Centre, The University of Dusseldorf, 4000 Dusseldorf, Federal Republic of Germany
Klaus Szymanski ; Computer Centre, The University of Dusseldorf, 4000 Dusseldorf, Federal Republic of Germany
Ganija Jashari ; The Rugjer Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
Nenad Trinajstić ; The Rugjer Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia


Puni tekst: engleski pdf 2.616 Kb

str. 443-450

preuzimanja: 327

citiraj


Sažetak

An algorithm for setting up adjacency matrices of benzenoid
hydrocarbons from their boundary sequences is detailed. A recipe
for computing the boundary code of a benzenoid structure from
its adjacency matrix is also given. Finally, an automatic procedure
is devised for computing approximate TRE values of benzenoids
from their boundary sequences via the Gutman-Petrovic formulae.

Ključne riječi

Hrčak ID:

194212

URI

https://hrcak.srce.hr/194212

Posjeta: 475 *