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Visualizing electron delocalization in contorted polycyclic aromatic hydrocarbons

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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. Click to show full abstract

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.

Keywords: visualizing electron; delocalization contorted; contorted polycyclic; electron delocalization; polycyclic aromatic

Journal Title: Chemical Science
Year Published: 2021

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