Theoretical Modeling of B12N12 Nanocage for the Effective Removal of Paracetamol from Drinking Water
Theoretical Modeling of B12N12 Nanocage for the Effective Removal of Paracetamol from Drinking Water
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Basel: MDPI AG
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English
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Basel: MDPI AG
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In our current investigation, we employed a B12N12 nanocage to extract paracetamol from water utilizing a DFT approach. We explored three distinct positions of paracetamol concerning its interaction with the B12N12 nanocage, designated as complex-1 (BNP-1), complex-2 (BNP-2), and complex-3 (BNP-3), under both aqueous and gaseous conditions. The opt...
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Theoretical Modeling of B12N12 Nanocage for the Effective Removal of Paracetamol from Drinking Water
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TN_cdi_doaj_primary_oai_doaj_org_article_845e731fa57c42d193179855d3ffdb27
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_845e731fa57c42d193179855d3ffdb27
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ISSN
2079-3197
E-ISSN
2079-3197
DOI
10.3390/computation11090183
