Results 91 to 100 of about 1,373 (200)

On -electron configuration of cyclopenta-derivatives of benzenoid hydrocarbons

, 2010
853-860Within the Hückel molecular orbital model, Kekulèan benzenoid hydrocarbons have equal number of bonding and antibonding molecular orbitals, and no non-bonding molecular orbitals.
Rašović, Dragana, Đurđević, Jelena, Bašić, Dušan, Gutman, Ivan   +3 more
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On distribution of -electrons in rhombus-shaped benzenoid hydrocarbons [PDF]

, 2006
The distribution of π-electrons into rings of rhombus-shaped benzenoid hydrocarbons is reported here. In this class of benzenoid systems, the (unique) Clar formula represents only a minute fraction of the total number of Kekule structures, and therefore ...
Turkovic, Nedzad, Furtula, Boris, Gutman, Ivan   +2 more
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Are Thermodynamic and Kinetic Stabilities Correlated? A Topological Index of Reactivity toward Electrophiles Used as a Criterion of Aromaticity of Polycyclic Benzenoid Hydrocarbons

, 2016
A topological index of reactivity (TIR) of benzenoid hydrocarbons is defined basing on an approximate value of the bicentric localization energies. TIR values correlate with all known (24) Hammett-Streitwieser position constants, based on kinetic data ...
Michał A. Dobrowolski (1672039), Alexandru T. Balaban (2364292), Arkadiusz Ciesielski (2391199), Michał K. Cyrański (1446514), Tadeusz M. Krygowski (1763227)   +4 more
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Harmonic–Arithmetic Index for the Generalized Mycielskian Graphs and Graphenes With Curvilinear Regression Models of Benzenoid Hydrocarbons

Computational and Mathematical Methods
The generalized Mycielskian graphs are known for their advantageous properties employed in interconnection networks in parallel computing to provide efficient and optimized network solutions. This paper focuses on investigating the bounds and computation
Pooja Danushri Namidass, Shobana Loganathan   +1 more
doaj   +1 more source

Probing Effects of Electron Addition to Polycyclic Conjugated Hydrocarbons Containing Four‐Membered Rings

ChemistryEurope
The rectangular cyclobutadiene (CBD, C4H4) is a unique moiety for building nonbenzenoid polycyclic conjugated hydrocarbons with interesting electron‐accepting properties.
Yikun Zhu, Ke Zheng, Zheng Wei, Yan Xia, Marina A. Petrukhina   +4 more
doaj   +1 more source

Structure-property modeling for thermodynamic properties of benzenoid hydrocarbons by temperature-based topological indices

Ain Shams Engineering Journal
Quantitative structure-property relationship (QSPR) modeling employs contemporary mathematical tools to predict physicochemical, thermodynamic and biological properties of compounds from their chemical structures.
Sakander Hayat, Asad Khan, Khadija Ali, Jia-Bao Liu   +3 more
doaj   +1 more source

On Additivity of Heats of Atomization of Benzenoid Hydrocarbons

, 1981
An additivity scheme, based on Clar's formulae, is proposed for calculating heats of atomization of benzenoid hydrocarbons: Comparison between the results obtained by this scheme, by the semiempirical SCF MO model, and experimental findings is good ...
T. Živković, N. Trinajstić, Živković, T., Randić, M., M. Randić, Trinajstić, N.   +5 more
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The Compact Nomenclature of the Benzenoid Hydrocarbons: A Short Review

, 1987
The short review concerning the recently proposed compact narning (CN) of the benzenoid hydrocarbons is presented. Since this nomenclature allows to construct the dualist of a particular hydrocarbon directly from its name, the connections between the ...
Cioslowski, J., J. Cioslowski
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The Connection Between the Adjacency Matrix and the Boundary Code of Benzenoid Hydrocarbons

, 1983
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.
Klaus Szymanski, Szymanski, Klaus, Jashari, Ganija, Ganija Jashari, Trinajstić, Nenad, Jan V. Knop, Knop, Jan V., Nenad Trinajstić   +7 more
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Modeling the Physicochemical Characteristics of Benzene Compounds Utilizing Zagreb Eta Indices

Journal of Chemistry
This study presents the Zagreb Eta indices, a novel family of degree-based topological descriptors defined through multiplicative combinations of neighboring vertex degrees, designed to model the physicochemical properties of benzenoid hydrocarbons ...
İdris Çiftçi
doaj   +1 more source