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• W3149705966 abstract "In the current work, some metallabenzenes with one and several fused rings were analyzed in terms of their electronic delocalization. These fused-ring metallabenzenes are known as metallabenzenoids, and their aromatic character is not free of controversy. The systems of the current work were designed from crystallographic data of some synthesized molecules, and their electronic delocalization (aromaticity) was computationally examined in terms of the molecular orbital analysis (Hückel’s rule), the induced magnetic field, and ring currents. The computational evidence allows us to understand if these molecules are or are not aromatic compounds." @default.
• W3149705966 created "2021-04-13" @default.
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• W3149705966 date "2021-04-02" @default.
• W3149705966 modified "2023-10-16" @default.
• W3149705966 title "<i>In Silico</i> Analysis of the Electronic Delocalization in Some Double Fused-Ring Metallabenzenes" @default.
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• W3149705966 doi "https://doi.org/10.1021/acsomega.1c00632" @default.
• W3149705966 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8047703" @default.
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