scholarly journals Computing Eccentric Version of Second Zagreb Index of Polycyclic Aromatic Hydrocarbons (PAHk)

2016 ◽  
Vol 1 (1) ◽  
pp. 247-252 ◽  
Author(s):  
Muhammad Kamran Jamil ◽  
Mohammad Reza Farahani ◽  
Muhammad Imran ◽  
Mehar Ali Malik
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Closed Formula ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Second Zagreb Index ◽  
Polycyclic Aromatic

AbstractA Recently, Ghorbani et. al. introduced the eccentric versions of first and second Zagreb indices called third and fourth Zagreb indices defined asM3 (G) = Σuv∊E(G) (ε (u) + ε (ν)) and M4 (G) = Σν∊V(G)ε (ν)2, respectively, where ε (ν)is the eccentricity of the vertex ν. In this paper, we compute the closed formula for third Zagreb index of Polycyclic Aromatic Hydrocarbons (PAHk).

Generalised Multiplicative Indices of Polycyclic Aromatic Hydrocarbons and Benzenoid Systems

2017 ◽  
Vol 72 (6) ◽  
pp. 573-576 ◽  
Author(s):  
V.R. Kulli ◽  
Branden Stone ◽  
Shaohui Wang ◽  
Bing Wei
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Topological Indices ◽  
Zagreb Indices ◽  
Polycyclic Aromatic

AbstractMany types of topological indices such as degree-based topological indices, distance-based topological indices, and counting-related topological indices are explored during past recent years. Among degree-based topological indices, Zagreb indices are the oldest one and studied well. In the paper, we define a generalised multiplicative version of these indices and compute exact formulas for Polycyclic Aromatic Hydrocarbons and jagged-rectangle Benzenoid systems.

scholarly journals Some Formulas for the Polynomials and Topological Indices of Nanostructures

2016 ◽  
Vol 24 (2) ◽  
pp. 122-138 ◽  
Author(s):  
Najmeh Soleimani ◽  
Esmaeel Mohseni ◽  
Fahimeh Rezaei ◽  
Fatemeh Khati
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Topological Indices ◽  
Zagreb Indices ◽  
Polycyclic Aromatic ◽  
First Time

Abstract In this paper, we focus on the structure of Polycyclic Aromatic Hydrocarbons (PAHs) and calculate the Omega and its related counting polynomials of nanostructures. Also, the exact expressions for the Theta, Sadhana, Pi, Hyper Zagreb and Forgotten Zagreb indices of linear [n]-Tetracene, V-Tetracenic nanotube, H-Tetracenic nanotube and Tetracenic nanotori were computed for the first time. These indices can be used in QSAR/QSPR studies.

Computing a Closed Formula of the Wiener Index of the Polycyclic Aromatic Hydrocarbons PAHk by Using the Cut Method

2017 ◽  
Vol 14 (7) ◽  
pp. 3636-3640
Author(s):  
Xu Li ◽  
Mohammad R Farahani ◽  
Mehdi Rezaei ◽  
Muhammad K Siddiqui ◽  
Jia-Bao Liu ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Wiener Index ◽  
Closed Formula ◽  
Cut Method ◽  
Polycyclic Aromatic

The Assessment of Contamination and Source of Polycyclic Aromatic Hydrocarbons from the Sediments of the Someş River

2019 ◽  
Vol 64 (1) ◽  
pp. 55-67
Author(s):  
Vlad Pӑnescu ◽  
◽  
Mihaela Cӑtӑlina Herghelegiu ◽  
Sorin Pop ◽  
Mircea Anton ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Polycyclic Aromatic

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

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