Density Functional Theory Study of Anticancer/Nanocone in Biological Interaction
In this research, the potential and capability of carbon NanoCones (NC) as an Olaparib carrier in the gas phase has been investigated using quantum mechanical calculations. The adsorption mechanism was studied systematically using a DFT approach and the basis sets of B3LYP/6-311+G, 6-311++G(d), and...
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| Principais autores: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
2022-08-01
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| coleção: | Iranian Journal of Chemistry & Chemical Engineering |
| Assuntos: | |
| Acesso em linha: | https://ijcce.ac.ir/article_253837_c236b4e791acc2a82768ed59a806bc9a.pdf |
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