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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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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 |