Topology and Stability of Conjugated Hydrocarbons. The Dependence of Total π‐Electron Energy on Molecular Topology

Gutman, Ivan

doi:10.1002/chin.200535323

Cited by 18 publications

(23 citation statements)

References 88 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As usual, E will be expressed in the units of the carbon-carbon resonance integral β. The E-values of benzenoid hydrocarbons were much studied; for details and further references see the reviews (11,12).…”

Section: Total π-Electron Energy and Kekulé Structures Of Benzenoid Hmentioning

confidence: 99%

A DIFFERENCE BETWEEN THE Π-Electron PROPERTIES OF CATAFUSENES AND PERIFUSENES

Gojak

Radenković

Kovačević

et al. 2006

Polycyclic Aromatic Compounds

Self Cite

View full text Add to dashboard Cite

It is shown that there is a remarkable difference between the Kekulé-and Clar-structure-dependence of the total π -electron energy (E) of catafusenes and perifusenes (catacondensed and pericondensed benzenoid molecules). Within classes of isomeric catafusenes the main parameter determining E is the Kekulé structure count whereas the influence of Clar-structure-based features is negligible. Within classes of isomeric perifusenes, Clar-structure-based features, in addition to the Kekulé structures, exhibit a significant effect on E. The present analysis is performed by using the mathematical formalism of the Zhang-Zhang polynomial [whose details are found in the recent paper: Gutman, Furtula, Balaban, Polycyclic Aromatic Compounds 26 (2006) 17-35].

show abstract

Section: Total π-Electron Energy and Kekulé Structures Of Benzenoid Hmentioning

confidence: 99%

A DIFFERENCE BETWEEN THE Π-Electron PROPERTIES OF CATAFUSENES AND PERIFUSENES

Gojak

Radenković

Kovačević

et al. 2006

Polycyclic Aromatic Compounds

Self Cite

View full text Add to dashboard Cite

show abstract

“…The Laplacian energy LE(G) is a very recently defined graph invariant. The basic properties for Laplacian energy have been established in [4,6,11,14,22,23], and it has found remarkable chemical applications. In this paper we study the Laplacian energy of generalized complements of some classes of graphs.…”

Section: Introductionmentioning

confidence: 99%

Laplacian energy of generalized complements of a graph

Gowtham

D’Souza

Bhat

2018

Kragujevac J Mathematics

View full text Add to dashboard Cite

Let P = {V 1 , V 2 , V 3 , . . . , V k } be a partition of vertex set V (G) of order k ≥ 2. For all V i and V j in P , i = j, remove the edges between V i and V j in graph G and add the edges between V i and V j which are not in G. The graph G P k thus obtained is called the k−complement of graph G with respect to a partition P . For each set V r in P , remove the edges of graph G inside V r and add the edges of G (the complement of G) joining the vertices of V r . The graph G P k(i) thus obtained is called the k(i)−complement of graph G with respect to a partition P . In this paper, we study Laplacian energy of generalized complements of some families of graph. An effort is made to throw some light on showing variation in Laplacian energy due to changes in a partition of the graph.

show abstract

“…The energy of the graph G is defined [2] as the sum of the absolute values of its eigenvalues: Details on the theory of graph energy can be found in the reviews [3]- [5], whereas details on its chemical applications in the book [6] and in the review [7]. Let G be simple graph with vertex set ( ) { } 1 2 , , , n V G v v v =  .…”

Section: Introductionmentioning

confidence: 99%