Polycyclic aromatic hydrocarbons as finite size models of graphene and graphene nanoribbons: Enhanced electron density edge effect

2012 ◽  
Vol 402 ◽  
pp. 56-68 ◽  
Author(s):  
P.C. Mishra ◽  
Amarjeet Yadav
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Electron Density ◽  
Edge Effect ◽  
Aromatic Hydrocarbons ◽  
Graphene Nanoribbons ◽  
Finite Size ◽  
Polycyclic Aromatic

Electron delocalization and electron density of small polycyclic aromatic hydrocarbons in singlet excited states

2016 ◽  
Vol 18 (17) ◽  
pp. 11792-11799 ◽  
Author(s):  
Mar Estévez-Fregoso ◽  
Jesús Hernández-Trujillo
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Electron Density ◽  
Excited States ◽  
Aromatic Hydrocarbons ◽  
Electron Delocalization ◽  
Excitation Energies ◽  
Polycyclic Aromatic

Electron delocalization allows us to study the similarity and aromaticity of PAHs in excited states, and can be correlated with the excitation energies.

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