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Exploring the promising application of Be(12)O(12) nanocage for the abatement of paracetamol using DFT simulations

The removal of paracetamol from water is of prime concern because of its toxic nature in aquatic environment. In the present research, a detailed DFT study is carried out to remove paracetamol drug from water with the help of Be(12)O(12) to eliminate the related issues. Three different geometries (C...

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Detalles Bibliográficos
Autores principales: Gul, Sana, Kainat, Ali, Qaisar, Khan, Momin, Ur Rehman, Munir, AlAsmari, Abdullah F., Alasmari, Fawaz, Alharbi, Metab
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10613287/
https://www.ncbi.nlm.nih.gov/pubmed/37898689
http://dx.doi.org/10.1038/s41598-023-45674-3