Multicenter delocalization indices vs. properties of the electron density at ring critical points: A study on polycyclic aromatic hydrocarbons

2006 ◽  
Vol 433 (1-3) ◽  
pp. 5-9 ◽  
Author(s):  
Marcos Mandado ◽  
Patrick Bultinck ◽  
María J. González-Moa ◽  
Ricardo A. Mosquera
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Electron Density ◽  
Aromatic Hydrocarbons ◽  
Critical Points ◽  
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.

Sign in / Sign up

Export Citation Format

Share Document