Results 31 to 40 of about 489,454 (164)
Wiener Index of Edge Thorny Graphs of Catacondensed Benzenoids
Mathematics, 2020 The Wiener index is a topological index of a molecular graph, defined as the sum of distances between all pairs of its vertices. Benzenoid graphs include molecular graphs of polycyclic aromatic hydrocarbons.
Andrey A. Dobrynin, Ali Iranmanesh
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Mathematics, 2022 A two-mode network is a type of network in which nodes can be divided into two sets in such a way that links can be established between different types of nodes. The relationship between two separate sets of entities can be modeled as a bipartite network.
A. Khabyah +4 more
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A test of Clar aromatic sextet theory [PDF]
Journal of the Serbian Chemical Society, 2013 The Clar aromatic sextet theory predicts that the intensity of cyclic conjugation in chevron-type benzenoid hydrocarbons monotonically decreases along the central chain. This regularity has been tested by means of several independent theoretical
Gutman Ivan +3 more
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On some extended energy of graphs and their applications [PDF]
Yugoslav Journal of Operations ResearchIn this paper, we established a relation between the extended energy of graphs such as the first and second Zagreb energy, Randić energy, reciprocal Randić energy, and the atom-bond connectivity energy with some thermodynamic properties of benzenoid ...
Sarkar Prosanta +3 more
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C++ Conference, 2022 Benzenoid hydrocarbons have regular structures, attracting the opportunity to test the structural descriptors of their series. In the present study, we compared information entropy, Wiener indices, topological efficiencies, topological roundness, and ...
D. Sabirov +3 more
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On a class of approximate formulas for total ח-electron energy of benzenoid hydrocarbons [PDF]
Journal of the Serbian Chemical Society, 2001 The method for obtaining approximate formulas of the (n, m)-type for the total -electron energy of benzenoid hydrocarbons (communicated in J. Serb. Chem. Soc. 54 (1989) 189) is simplified and extended so as to include arbitrary spectral moments.
Gutman Ivan, Soldatović Tanja
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On the aromatic stabilization of benzenoid hydrocarbons
Chemical Communications, 2012 A general scheme for estimation of aromatic stabilization energies of benzenoid hydrocarbons based on selected topological features has been presented. The reactions have been applied to benzene, naphthalene, anthracene, phenanthrene, pyrene, tetracene, benz[a]anthracene, chrysene, [4]-helicene, anthanthrene and coronene.
Arkadiusz, Ciesielski +4 more
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IEEE Access, 2021 Graph signal processing deals with signals whose domain, defined by a graph, is irregular. The total $\pi $ -electron energy or simply the $\pi $ -electronic energy, as calculated within the Hückel tight-binding molecular orbital approximation, is one ...
Sakander Hayat +3 more
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Introducing Diradicaloid Thiele's Hydrocarbon Derivatives as Ligand in Transition Metal Chemistry
Angewandte Chemie, EarlyView.N‐doped Thiele's hydrocarbon derivative is introduced as a ligand for the synthesis of mono‐ and bimetallic rhodium complexes as well as cyclometalated iridium complexes. These compounds constitute the first metal complexes based on a Thiele's hydrocarbon (or p‐quinodimethane) derivative and, to the best of our knowledge, the first cyclometalated ...
Alok Mahata +2 more
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Number of Benzenoid Hydrocarbons [PDF]
Zeitschrift für Naturforschung A, 1986 The number of benzenoid hydrocarbons with h hexagons can be estimated by means of the formula Bh = 0.045-3/2 (5 .4 )h . The analogous estimate for the number of catacondensed benzenoids is Ch = 0.049 h-5/4 (4.27)h.
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