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Comparative analysis of temperature-based graphical indices for correlating the total π-electron energy of benzenoid hydrocarbons

International Journal of Modern Physics B
In a graph [Formula: see text], the temperature [Formula: see text] of a vertex [Formula: see text] is defined as [Formula: see text], where n is the order of G and [Formula: see text] is the valency/degree of x.
Sakander Hayat, Jia-bao Liu
semanticscholar   +1 more source

Inverse sum indeg status index of graphs and its applications to octane isomers and benzenoid hydrocarbons

, 2020
The status or transmission of a vertex u in a graph G is defined by σ ( u ) = ∑ v ∈ V d ( u , v ) , where V is the set of vertices of the graph G, and d ( u , v ) stands for the distance between u and v in G.
A. Doley, J. Buragohain, A. Bharali
semanticscholar   +1 more source

Synthesis and Characterization of Cycloocta[1,2-a:6,5-a']diindene as an Octagon-Containing Nonalternant Isomer of Pentacyclic Benzenoid Aromatic Hydrocarbons with Hidden Diradical Character That Induces Dimerization.

Journal of the American Chemical Society
Recently, the interest in nonbenzenoid hydrocarbons has resurged, focusing on the replacement of two benzenoid hexagons with a pentagon/heptagon pair, which has led to abundant azulenoid hydrocarbons.
Akihito Konishi   +7 more
semanticscholar   +1 more source

A Periodic Table for Benzenoid Hydrocarbons

1990
The formulas for all benzenoid hydrocarbons are found in Table PAH6 which has x,y-coordinates of (d s , NIc). Recursive construction of this table was accomplished using an aufbau principle. This table complies to a sextet rule analogous to the octet rule for the periodic table of elements, and d s is analogous to the outer-shell electronic ...
openaire   +1 more source

Conjugated circuits in benzenoid hydrocarbons

Journal of Molecular Structure: THEOCHEM, 1989
Abstract A proof is provided for the previously known result that all conjugated circuits in a benzenoid hydrocarbon are of the size 4m + 2.
I. Gutman, S.J. Cyvin
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Enumeration and classification of benzenoid hydrocarbons

Journal of Molecular Structure: THEOCHEM, 1990
New principles in the enumeration of benzenoid systems are reported. They imply a class of benzenoids referred to as special catacondensed systems. The techniques are applied to catacondensed (branched) benzenoids of regular trigonal (D3h) symmetry. The results of enumeration up to h = 25 are given.
R. Tošić   +3 more
openaire   +1 more source

Mathematics of Periodic Tables for Benzenoid Hydrocarbons

Journal of Chemical Information and Modeling, 2007
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
openaire   +3 more sources

Characterization of all-benzenoid hydrocarbons

Journal of Molecular Structure: THEOCHEM, 1991
Abstract A benzenoid hydrocarbon is said to be all-benzenoid if its Clar formula contains only aromatic sextets and no double bonds. It is shown that the all-benzenoid hydrocarbons are characterized by the absence of fissures and coves in their perimeters.
I. Gutman, D. Babić
openaire   +1 more source

Stable Mono-radical and Triplet Diradicals Based on Allylic Radical-Embedded All-benzenoid Polycyclic Hydrocarbons.

Angewandte Chemie
High-spin organic radicals are notable for their unique optical, electronic, and magnetic properties, but synthesizing stable high-spin systems is challenging due to their inherent reactivity.
Lei Wang   +9 more
semanticscholar   +1 more source

Comparison Between Two Kinds of Connectivity Indices for Measuring the π-Electronic Energies of Benzenoid Hydrocarbons

Zeitschrift für Naturforschung A, 2019
In this paper, we show that both the general product-connectivity index χα and the general sum-connectivity index χαs\({}^{s}{\chi_{\alpha}}\) are closely related molecular descriptors when the real number α is in some interval.
Deqiang Chen
semanticscholar   +1 more source

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