Non-kekulean benzenoid hydrocarbon: physico-chemical properties for benzenoid hydrocarbon using topological indices and mpolynomial [PDF]
Computational Algorithms and Numerical DimensionsTopological indices are the numerical values that are connected to subatomic graphs in order to create the quantitative structure activity and structure attribute of a chemical compound and non-chemical graphs.
Anns Uzair +2 more
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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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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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Bis(azuleno)pentalenes with Six Consecutive Odd-Membered Rings. [PDF]
Angew Chem Int Ed EnglA new class of non‐alternant, non‐benzenoid polycyclic hydrocarbons with a unique 7‐5‐5‐5‐5‐7 odd‐membered ring topology has been synthesized. These compounds possess distinct electronic structures that integrate aromatic azulene and antiaromatic pentalene units, resulting in narrow band gaps, near‐infrared absorption, reversible acid‐base ...
Jiang Q +6 more
europepmc +3 more sources
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 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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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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Exploring the Potential and Evaluating Hydrocarbon Degradation by Novel Antarctic Dietzia and Pusillimonas Isolates From a Pristine Environment. [PDF]
Environ Microbiol RepThe Antarctic Dietzia and Pusillimonas isolates were tested for bioremediation applications. Genomic analyses revealed the potential to degrade complex organic compounds, potential virulence factors and resistance genes. Physiological assays showed a wide range of adaptation to abiotic factors and sensitivity to different groups of antibiotics ...
Krucoń T +4 more
europepmc +2 more sources
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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