Results 61 to 70 of about 3,914 (183)
Journal of Computational Chemistry, Volume 47, Issue 10, 15 April 2026.Aromaticity of a ring by itself does not explain the binding energies of alkali and alkaline earth metal cations with nanographenes, but when combined with the Fukui function, it does. ABSTRACT Nanographenes, a subclass of polycyclic aromatic hydrocarbons (PAHs), have attracted significant interest due to their unique electronic properties and broad ...
Omkar Charapale +3 more
wiley +1 more source
Automated conjecturing VI : domination number of benzenoids [PDF]
, 2018 We demonstrate the use of a conjecturing program that can be a tool for researchers investigating bounds of invariants of chemical graphs by investigating upper bounds for the domination number of a benzenoid.
Hutchinson, Laura +5 more
core +1 more source
On a class of approximate formulas for total p-electron energy of benzenoid hydrocarbons [PDF]
Journal of the Serbian Chemical Society, 2001 The method for obtaining approximate formulas of the (n,m)-type for the total p-electron energy of benzenoid hydrocarbons (communicated in J. Serb. Chem. Soc. 54 (1989) 189) is simplified and extended so as to include arbitrary spectral moments.
TANJA SOLDATOVIC, IVAN GUTMAN
doaj
Fullerenes with the maximum Clar number [PDF]
, 2014 The Clar number of a fullerene is the maximum number of independent resonant hexagons in the fullerene. It is known that the Clar number of a fullerene with n vertices is bounded above by [n/6]-2.
Gao, Yang, Li, Qiuli, Zhang, Heping
core
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
openaire +3 more sources
Enumeration of Benzenoid and Coronoid Hydrocarbons [PDF]
Zeitschrift für Naturforschung A, 1987 This is a report on the present status of computer-aided enumeration and classification of benzenoids and coronoids (polyhexes). The existing data from previous works are displayed in comprehensive tables. Numerous data from papers in press are included, as well as original contributions.
A.T. Balaban +13 more
openaire +1 more source
Floral Scent Composition of Analyzed by HS-SPME
Natural Product Communications, 2012 The headspace volatile compounds of the flowers of Plumeria tuberculata Lodd. were analyzed by solid phase microextraction coupled with capillary gas chromatography/mass spectrometry.
Disnelys Báez +2 more
doaj +1 more source
A parallel algorithm for the enumeration of benzenoid hydrocarbons
, 2009 We present an improved parallel algorithm for the enumeration of fixed benzenoids B_h containing h hexagonal cells. We can thus extend the enumeration of B_h from the previous best h=35 up to h=50.
Brinkmann G +14 more
core +3 more sources
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 +2 more sources
Novel Synthesis and Structures of Tris-Annelated Benzene Donors for the Electron-Density Elucidation of the Classical Mills−Nixon Effect [PDF]
, 1998 A versatile method for the high-yield synthesis of various tris-, bis-, and mono-annelated benzenes (as well as cyclooctatetraene) is based on the Pd-catalyzed coupling of three (or four) ethylenic units comprised of α,β-dibromoalkenes and α‘-alkenyl ...
Kochi, Jay K. +3 more
core +1 more source