Results 11 to 20 of about 1,373 (200)
How to Find the Fries Structures for Benzenoid Hydrocarbons [PDF]
Symmetry, 2010 An efficient algorithm leading to the Fries canonical structure is presented for benzenoid hydrocarbons. This is a purely topological approach, which is based on adjacency matrices and the Hadamard procedure of matrix multiplication. The idea is presented for naphthalene, as an example.
Arkadiusz Ciesielski +2 more
exaly +3 more sources
Novel Face Index for Benzenoid Hydrocarbons
Mathematics, 2020 A novel topological index, the face index ( F I ), is proposed in this paper. For a molecular graph G, face index is defined as F I ( G ) = ∑ f ∈ F ( G ) d ( f ) = ∑ v ∼ f , f ∈ F ( G ) d ( v ...
Muhammad Kamran Jamil +2 more
doaj +2 more sources
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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RESOLVENT ENERGY AND ESTRADA INDEX OF BENZENOID HYDROCARBONS [PDF]
Journal of the Serbian Society for Computational Mechanics, 2020 The relationship between the resolvent and Estrada indices for the alkanes has been recently demonstrated. That relationship involved the first Zagreb index besides these two eigenvalue-based molecular descriptors. In this paper, the quality of the correlation is tested in the case of isomeric benzenoid hydrocarbons, where the first Zagreb index is ...
Redžepović, Izudin, Furtula, Boris
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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
doaj +6 more sources
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
doaj +4 more sources
On p-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.
IVAN GUTMAN, JELENA ĐURĐEVIĆ
doaj +1 more source
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
doaj +2 more sources
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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Wiener Numbers of Pericondensed Benzenoid Hydrocarbons
Croatica Chemica Acta, 1997 Using a recently developed technique for the calculation of the Wiener number (W) of benzenoid systems, we determine explicit expressions for W for several homologous series of pericondensed benzenoid hydrocarbons. An elementary proof for the correctness of the used method is also included.
Klavžar, Sandi +2 more
openaire +4 more sources