Visualizing electron delocalization in contorted polycyclic aromatic hydrocarbons

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. The resulting maps of electron delocalization provided an intuitive, yet detail...

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Detalles Bibliográficos
Autores principales: Artigas, Albert, Hagebaum-Reignier, Denis, Carissan, Yannick, Coquerel, Yoann
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8513938/
https://www.ncbi.nlm.nih.gov/pubmed/34745540
http://dx.doi.org/10.1039/d1sc03368a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8513938/
https://www.ncbi.nlm.nih.gov/pubmed/34745540
http://dx.doi.org/10.1039/d1sc03368a

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