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Seeking the most stable isomer of azahomocubanes

This study examines the stability and protonation properties of four potential azahomocubanes. Through high-level ab initio computations, we find that 9-azahomocubane is the most stable isomer, closely followed by 5-azahomocubane, 1-azahomocubane, and 2-azahomocubane. However, understanding the stab...

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Detalles Bibliográficos
Autores principales: Fernández-Herrera, María A., Barroso-Flores, Joaquín, Merino, Gabriel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10506536/
https://www.ncbi.nlm.nih.gov/pubmed/37727314
http://dx.doi.org/10.1039/d3ra05117j