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Enumeration of the Hosoya index of pericondensed benzenoid system [PDF]
HeliyonIn chemical graph theory, topological indices play an important role and have various uses in quantitative structure-property relationships (QSPR) as well as quantitative structure-activity relationships (QSARs).
Muhammad Talha Farooq +2 more
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On benzenoid systems with minimal number of inlets [PDF]
Journal of the Serbian Chemical Society, 2013 Inlets are features on the perimeter of a benzenoid system that determine numerous of its electronic and topological properties. A class of large benzenoid systems is constructed, having small number of inlets.
Cruz Roberto, Gutman Ivan, Rada Juan
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On the zagreb polynomials of benzenoid systems [PDF]
Open Physics, 2018 Topological indices play significant role in determining properties of chemical compound. Algebraic polynomials help to compute topological indices of studied chemical compounds.
Chel Kwun Young +5 more
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The Wiener polarity index of benzenoid systems and nanotubes [PDF]
Croatica Chemica Acta, 2017 In this paper, we consider a molecular descriptor called the Wiener polarity index, which is defined as the number of unordered pairs of vertices at distance three in a graph.
Tratnik, Niko
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Aromaticity-Induced Spin State Switching and High-Spin States in Non-Alternant Polyradicals. [PDF]
J Comput ChemThe peculiar topology of some non‐alternant systems allows such a degree of freedom in favored spin‐alignment between unpaired electrons that the polyradical can be in low‐, intermediate‐, and high‐spin ground state. Thus, the modulation of resonance energy upon distortions of pro‐aromatic units via external stimuli may result in switching the lowest ...
Betkhoshvili S +3 more
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Aromaticity of aza aromatic molecules: prediction from Hückel theory with modified parameters [PDF]
Química Nova, 2023 Hückel theory is a simple and powerful method for predicting the molecular orbital and the energy of conjugated molecules. However, the presence of nitrogen atoms in aza aromatic molecules alters the Coulomb and resonance integrals owing to the ...
Inge M. Sutjahja +3 more
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Wiener Index Calculation on the Benzenoid System: A Review Article
Jurnal Matematika Integratif, 2023 The Weiner index is considered one of the basic descriptors of fixed interconnection networks because it provides the average distance between any two nodes of the network.
Dwindi Agryanti Johar +2 more
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The Multivariable Zhang–Zhang Polynomial of Phenylenes
Axioms, 2023 The Zhang–Zhang polynomial of a benzenoid system is a well-known counting polynomial that was introduced in 1996. It was designed to enumerate Clar covers, which are spanning subgraphs with only hexagons and edges as connected components.
Niko Tratnik
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On π-electron conjugation in the five-membered ring of fluoranthene-type benzenoid hydrocarbons [PDF]
Journal of the Serbian Chemical Society, 2009 A fluoranthene-type benzenoid hydrocarbon (FTBH) is a polycyclic conjugated system obtained by joining two ordinary benzenoid hydrocarbons so as to form a five-membered ring.
Gutman Ivan, Đurđević Jelena
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Benzenoid isomers with greatest and smallest Kekulé structure counts [PDF]
Journal of the Serbian Chemical Society, 2006 In families of benzenoid isomers, the species with the greatest and smallest value of the Kekulé structure count (K) possess, respectively, the greatest and smallest thermodynamic stability and, respectively, the smallest and greates reactivity.
Gutman Ivan +3 more
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