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Aromaticity Study of Linear and Belt-like Polycyclic Aromatic Hydrocarbons

Polycyclic aromatic hydrocarbons (PAHs) play a central role in materials science due to their extended π-conjugated systems, with their stability and reactivity depending critically on their aromatic character. In this work, we systematically investigated the aromaticity and stability of a broad ran...

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Furkejuvvon:
Váldodahkkit: Guilherme A. Salles, Paulo R. C. Magalhães, Jhonatas R. Carvalho, Matheus Máximo-Canadas, Nathália M. P. Rosa, Julio C. V. Chagas, Luiz F. A. Ferrão, Adelia J. A. Aquino, Itamar Borges, Francisco B. C. Machado, Hans Lischka
Materiálatiipa: Artigo
Giella:Inglês
Almmustuhtton: MDPI AG 2025-11-01
Ráidu:Chemistry
Fáttát:
polycyclic aromatic hydrocarbons (PAHs)
aromaticity descriptors
local aromaticity
DFT
π-electron delocalization
Liŋkkat:https://www.mdpi.com/2624-8549/7/6/178
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