On computing extended graph energies and their thermodynamic properties for benzenoid hydrocarbons [PDF]
Scientific ReportsIn this paper, several graph-based descriptors are applied, including some extended energies, such as Sombor and Banhatti Sombor energies, for the prediction of some important thermodynamic properties of BHC.
Hafiz Muhammad Bilal +4 more
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Recent advances and future challenges in the bottom-up synthesis of azulene-embedded nanographenes [PDF]
Beilstein Journal of Organic ChemistryIn recent years, significant progress has been made in the synthesis of various nanographenes incorporating non-benzenoid rings, expanding the scope of molecular design beyond all-hexagon polycyclic aromatic hydrocarbons (PAHs). Among these, π-conjugated
Bartłomiej Pigulski
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Predicting enthalpy of formation of benzenoid hydrocarbons and ordering molecular trees using general multiplicative Zagreb indices [PDF]
HeliyonMany existing studies show that there exists a strong relationship between structures and characteristics of molecules. Topological indices are often used in modeling the properties of chemical compounds and biological activities in theoretical chemistry.
Sadia Noureen +4 more
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Optimization model for predicting quantum theoretic characteristics of hexagonal systems using temperature dependent graph theoretic estimators [PDF]
Scientific ReportsThis study explores how graph-based models can be used to predict key electronic properties of molecular structures, particularly benzenoid hydrocarbons as hexagonal systems. By focusing on temperature-related indices that reflect how atoms are connected
Yunji Huang +5 more
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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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The Hall rule in fluoranthene-type benzenoid hydrocarbons [PDF]
Journal of the Serbian Chemical Society, 2008 The applicability of the Hall rule (linear relation between the total π-electron energy and the number of Kekulé structures) was investigated in the case of fluoranthene-type benzenoid hydrocarbons. It was found that the originnal Hall rule is not obeyed,
Đurđević Jelena +2 more
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On the oxidation of dibenzo[fg,ij]pentaphene and dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene dianions [PDF]
Journal of the Serbian Chemical Society, 1999 The dianion of dibenzo[fg,ij]pentaphene has recently been synthesized and shown to react with oxygen, forming the 15,16-dioxo derivative in nearly quantitative yield. Oxidation of the dianion of dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene
Gutman Ivan
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On Computation and Analysis of Topological Index-Based Invariants for Complex Coronoid Systems
Complexity, 2021 In chemical graph theory, benzenoid systems are interrogated as they exhibit the chemical compounds known as benzenoid hydrocarbons. Benzenoid schemes are circumscribed as planar connected finite graphs having no cut vertices wherein the entire internal ...
Muhammad Aamer Rashid +3 more
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Topological properties of altan-benzenoid hydrocarbons [PDF]
Journal of the Serbian Chemical Society, 2014 The main topological characteristics of altan-benzenoids are established. In particular, it is shown that the perimeter of Kekuléan altan-benzenoids is of size 4k , having a destablizing (antiaromatic) energy effect, similar to (4k)-annulenes.
Gutman Ivan
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Electron content of rings of fully benzenoid hydrocarbons [PDF]
Journal of the Serbian Chemical Society, 2005 The distribution of -electrons in rings of fully benzenoid hydrocarbons was investigated. It was found that the electron content EC of "full" rings varies significantly (between 5.5 and 2.5 electrons), and depends on the annelation mode, mainly on the ...
Gutman Ivan +3 more
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