Polyradicals of Polycyclic Aromatic Hydrocarbons as Finite Size Models of Graphene: Highly Open-Shell Nature, Symmetry Breaking, and Enhanced-Edge Electron Density

2013 ◽  
Vol 117 (36) ◽  
pp. 8958-8968 ◽  
Author(s):  
Amarjeet Yadav ◽  
P. C. Mishra
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Symmetry Breaking ◽  
Electron Density ◽  
Aromatic Hydrocarbons ◽  
Finite Size ◽  
Open Shell ◽  
Polycyclic Aromatic

Open-shell polycyclic aromatic hydrocarbons

2012 ◽  
Vol 22 (10) ◽  
pp. 4151-4160 ◽  
Author(s):  
Zhe Sun ◽  
Jishan Wu
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Open Shell ◽  
Polycyclic Aromatic

ChemInform Abstract: Open-Shell Polycyclic Aromatic Hydrocarbons

ChemInform ◽  
2012 ◽  
Vol 43 (22) ◽  
pp. no-no
Author(s):  
Zhe Sun ◽  
Jishan Wu
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Open Shell ◽  
Polycyclic Aromatic

scholarly journals Bonding in Polycyclic Aromatic Hydrocarbons in Terms of the Electron Density and of Electron Delocalization.

2005 ◽  
Vol 109 (47) ◽  
pp. 10798-10798 ◽  
Author(s):  
Chérif F. Matta ◽  
Jesús Hernández-Trujillo
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Electron Density ◽  
Aromatic Hydrocarbons ◽  
Electron Delocalization ◽  
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.

Bonding in Polycyclic Aromatic Hydrocarbons in Terms of the Electron Density and of Electron Delocalization

2003 ◽  
Vol 107 (38) ◽  
pp. 7496-7504 ◽  
Author(s):  
Chérif F. Matta ◽  
Jesús Hernández-Trujillo
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Electron Density ◽  
Aromatic Hydrocarbons ◽  
Electron Delocalization ◽  
Polycyclic Aromatic

ChemInform Abstract: Phenalenyl-Based Open-Shell Polycyclic Aromatic Hydrocarbons

ChemInform ◽  
2015 ◽  
Vol 46 (18) ◽  
pp. no-no
Author(s):  
Takashi Kubo
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Open Shell ◽  
Polycyclic Aromatic
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