Results 1 to 10 of about 2,404 (97)
A simple mathematical model for the effect of benzoannelation on cyclic conjugation [PDF]
Journal of the Serbian Chemical Society, 2011 In a series of earlier studies, it was established that benzoannelation in the angular (resp. linear) position relative to a ring R of a polycyclic conjugated π-electron system, increases (resp.
Gutman Ivan, Balaban Aexanru T.
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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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Annelated perylenes: benzenoid molecules violating the Kekulé-structure-based cyclic conjugation models [PDF]
Journal of the Serbian Chemical Society, 2005 Several currently used models for assessing the extent of cyclic conjugation in benzenoid hydrocarbons, all based on Kekulé-type structural formulas, predict that there is no cyclic conjugation in the central, “empty”, ring of perylene and its annelated ...
IVAN GUTMAN +4 more
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Relating resonance energy with the Zhang-Zhang polynomial [PDF]
Journal of the Serbian Chemical Society, 2007 The Zhang-Zhang polynomial ζ(x) is a recently conceived tool in the mathematical apparatus of theoretical chemistry. It combines (in a quantitative manner) the Kekulé- and Clar-structure-based features of benzenoid molecules.
Gojak Sabina +3 more
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The transport properties of Kekulé-ordered graphene p–n junction
New Journal of Physics, 2023 The transport properties of electrons in graphene p – n junction with uniform Kekulé lattice distortion have been studied using the tight-binding model and the Landauer–Büttiker formalism combined with the nonequilibrium Green’s function method.
Peipei Zhang +4 more
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Stability order of isomeric benzenoid hydrocarbons and Kekulé structure count [PDF]
Journal of the Serbian Chemical Society, 2009 The commonly accepted opinion that the thermodynamic stability of isomeric benzenoid hydrocarbons (assessed by their total π-electron energy and various resonance energies) increases with increasing number of Kekulé structures is shown to be violated in ...
SLAVKO RADENKOVIĆ, IVAN GUTMAN
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Dependence of Dewar resonance energy of benzenoid molecules on Kekulé structure count [PDF]
Journal of the Serbian Chemical Society, 2006 The dependence of the Dewar resonance energy (DRE) on the Kekulé structure count (K) was found to be significantly different from that earlier anticipated.
SLAVKO RADENKOVIC, IVAN GUTMAN
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Algebraic structure count of liner phenylenes and their congeners [PDF]
Journal of the Serbian Chemical Society, 2003 The algebraic structure count of the linear phenylene with h six-membered rings is known to be equal to h + 1. We show that the same expression applies if each four-membered ring in the phenylene is replaced by a linear array consisting of k four ...
Gutman Ivan
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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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Graphene with geometrically induced vorticity [PDF]
, 2008 At half filling, the electronic structure of graphene can be modeled by a pair of free two-dimensional Dirac fermions. We explicitly demonstrate that in the presence of a geometrically induced gauge field an everywhere-real Kekulé modulation of the ...
Pachos, J.K., Stone, M., Temme, K.
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