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DFT study on the adsorption of 5-fluorouracil on B(40), B(39)M, and M@B(40) (M = Mg, Al, Si, Mn, Cu, Zn)
Based on density functional theory, the adsorption behavior of 5-fluorouracil (5-Fu) on B(40) and its derivatives has been explored. It was observed that 5-Fu prefers to combine with the corner boron atom of the B(40) cage via one of its oxygen atoms, forming a strong polar covalent B–O bond. The ad...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9044419/ https://www.ncbi.nlm.nih.gov/pubmed/35492488 http://dx.doi.org/10.1039/d1ra08308b |