Results 21 to 30 of about 3,864 (163)

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
doaj   +1 more source

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, Furtula Boris, Jeremić Svetlana, Turković Nedžad   +3 more
doaj   +3 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   +3 more sources

New bounds and approximations for total π-electron energy: A critical test [PDF]

Kragujevac Journal of Science, 2014
The quality and correlating ability of some recently deduced bounds and approximate formulas for total π-electron energy are tested on a sample of 106 Kekuléan benzenoid hydrocarbons.
Gutman Ivan, Furtula Boris, Katanić Vladimir   +2 more
doaj   +1 more source

Wiener Index of Edge Thorny Graphs of Catacondensed Benzenoids

Mathematics, 2020
The Wiener index is a topological index of a molecular graph, defined as the sum of distances between all pairs of its vertices. Benzenoid graphs include molecular graphs of polycyclic aromatic hydrocarbons.
Andrey A. Dobrynin, Ali Iranmanesh
doaj   +1 more source

A test of Clar aromatic sextet theory [PDF]

Journal of the Serbian Chemical Society, 2013
The Clar aromatic sextet theory predicts that the intensity of cyclic conjugation in chevron-type benzenoid hydrocarbons monotonically decreases along the central chain. This regularity has been tested by means of several independent theoretical
Gutman Ivan, Radenković Slavko, Antić Marija, Đurđević Jelena   +3 more
doaj   +1 more source

The Wiener polarity index of benzenoid systems and nanotubes [PDF]

, 2017
In this paper, we consider a molecular descriptor called the Wiener polarity index, which is defined as the number of unordered pairs of vertices at distance three in a graph.
Tratnik, Niko
core   +3 more sources

On a class of approximate formulas for total ח-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 -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.
Gutman Ivan, Soldatović Tanja
doaj   +1 more source

On some extended energy of graphs and their applications [PDF]

Yugoslav Journal of Operations Research
In this paper, we established a relation between the extended energy of graphs such as the first and second Zagreb energy, Randić energy, reciprocal Randić energy, and the atom-bond connectivity energy with some thermodynamic properties of benzenoid ...
Sarkar Prosanta, Dey Arindam, Kumar Shiv, Pal Anita   +3 more
doaj   +1 more source

Degrees of projections of rank loci [PDF]

, 2014
We provide formulas for the degrees of the projections of the locus of square matrices with given rank from linear spaces spanned by a choice of matrix entries.
Aluffi, Paolo
core   +1 more source