Theoretical investigation of nano-adsorbents for removing antibiotics oxacillin and ciprofloxacin: A semiempirical PM7 study

Bing Hung Wu,Shu Chun Chi,Chia Ming Chang

Computational and Theoretical Chemistry（2022）

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摘要

In this study, molecular models of covalent organic frameworks and β-cyclodextrin nano-adsorbents were investigated using the semiempirical PM7 quantum chemical method. A nanosystem that exists in an acidic medium and is combined with a catalyst to remove antibiotics is also calculated.

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关键词

Adsorption,Oxacillin,Ciprofloxacin,Covalent organic framework,Cyclodextrin,Metal cation

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