Theoretical Modeling of B<sub>12</sub>N<sub>12</sub> Nanocage for the Effective Removal of Paracetamol from Drinking Water
In our current investigation, we employed a B<sub>12</sub>N<sub>12</sub> nanocage to extract paracetamol from water utilizing a DFT approach. We explored three distinct positions of paracetamol concerning its interaction with the B<sub>12</sub>N<sub>12</s...
Main Authors: | , , , , , , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2023-09-01
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Series: | Computation |
Subjects: | |
Online Access: | https://www.mdpi.com/2079-3197/11/9/183 |