Spectral Properties of Fullerenes

Fath-Tabar, Gholam Hossein; Ashrafi, Ali Reza; Stevanović, Dragan

doi:10.1166/jctn.2012.2027

Cited by 3 publications

(2 citation statements)

References 11 publications

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“…Our measure of energy correlates well with the observed heats of formation of the corresponding conjugated hydrocarbons, and it is related to other relevant chemical invariants [ 39 , 40 ]. We demonstrated this by using the well-known graph energy [ 41 , 42 , 43 , 44 , 45 , 46 , 47 , 48 ].…”

Section: Discussionmentioning

confidence: 99%

On Properties of Distance-Based Entropies on Fullerene Graphs

Ghorbani

Dehmer

Rajabi-Parsa

et al. 2019

Entropy

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In this paper, we study several distance-based entropy measures on fullerene graphs. These include the topological information content of a graph I a ( G ) , a degree-based entropy measure, the eccentric-entropy I f σ ( G ) , the Hosoya entropy H ( G ) and, finally, the radial centric information entropy H e c c . We compare these measures on two infinite classes of fullerene graphs denoted by A 12 n + 4 and B 12 n + 6 . We have chosen these measures as they are easily computable and capture meaningful graph properties. To demonstrate the utility of these measures, we investigate the Pearson correlation between them on the fullerene graphs.

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Section: Discussionmentioning

confidence: 99%

On Properties of Distance-Based Entropies on Fullerene Graphs

Ghorbani

Dehmer

Rajabi-Parsa

et al. 2019

Entropy

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“…Particularly, the Tutte polynomials of some classes of chemical polycyclic graphs have been studied in recent years. Fath-Tabar, Gholam-Rezaei, and Ashrafi [7] got the Tutte polynomial of benzenoid chains. Došli c [8] studied the Tutte polynomials of several particular planar polycyclic graphs.…”

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confidence: 99%

The Tutte polynomial of phenylene systems with given number of branching hexagons

Chen

2022

Int J of Quantum Chemistry

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Polynomial graph invariants have been confirmed to have important applications in quantum chemistry and biological information. One of the famous polynomial graph invariants is the Tutte polynomial which gives abundant graph‐theoretical information of the underlying graph. In this paper, we first give a simpler and more efficient method to get the Tutte polynomials of alternating polycyclic chains. Then we obtain the explicit expressions for the Tutte polynomials and the number of spanning trees of phenylene systems with given number of branching hexagons. Moreover, we determine the extremal values of the number of spanning trees among the phenylene systems with given one branching hexagon and two branching hexagons. The corresponding extremal phenylene systems are characterized, respectively.

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Chemical shielding of doped nitrogen on C20 cage and bowl fullerenes

Nikmaram

Khoddamzadeh

2017

J Struct Chem

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Spectral Properties of Fullerenes

Cited by 3 publications

References 11 publications

On Properties of Distance-Based Entropies on Fullerene Graphs

On Properties of Distance-Based Entropies on Fullerene Graphs

The Tutte polynomial of phenylene systems with given number of branching hexagons

Chemical shielding of doped nitrogen on C20 cage and bowl fullerenes

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