Encapsulating and Decontaminating of Sarin by Heptakis(2,3,6-tri-O-Methyl)-β-Cyclodextrin: MD Simulations and QM Calculations
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Chemical warfare agents (CWAs) such as sarin are still available and their toxicity is a real danger. This study aims at investigating the ability of heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin (M-β-CD) to trap and...
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