Carbonaceous Nanoparticle Molecular Inception from Radical Addition and van der Waals Coagulation of Polycyclic Aromatic Hydrocarbon-Based Systems. A Theoretical Study

2011 ◽  
Vol 115 (35) ◽  
pp. 17237-17251 ◽  
Author(s):  
Anna Giordana ◽  
Andrea Maranzana ◽  
Glauco Tonachini
Keyword(s):  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Theoretical Study ◽  
Van Der Waals ◽  
Radical Addition ◽  
Polycyclic Aromatic

scholarly journals Visualizing electron delocalization in contorted polycyclic aromatic hydrocarbons

2021 ◽  
Vol 12 (39) ◽  
pp. 13092-13100
Author(s):  
Albert Artigas ◽  
Denis Hagebaum-Reignier ◽  
Yannick Carissan ◽  
Yoann Coquerel
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbons ◽  
Van Der Waals ◽  
Electron Delocalization ◽  
Magnetic Shielding ◽  
Contour Maps ◽  
Polycyclic Aromatic

Electron delocalization in contorted polycyclic aromatic hydrocarbon (PAH) molecules was examined through 3D isotropic magnetic shielding (IMS) contour maps built around the molecules using pseudo-van der Waals surfaces.

Polycyclic aromatic hydrocarbon formation mechanism in the “particle phase”. A theoretical study

2010 ◽  
Vol 12 (32) ◽  
pp. 9429 ◽  
Author(s):  
Antonius Indarto ◽  
Anna Giordana ◽  
Giovanni Ghigo ◽  
Andrea Maranzana ◽  
Glauco Tonachini
Keyword(s):  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Formation Mechanism ◽  
Theoretical Study ◽  
Particle Phase ◽  
Polycyclic Aromatic ◽  
Hydrocarbon Formation
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