Host-Guest interactions between nerve agent sarin and β-Cyclodextrin: A theoretical investigation
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DOI: 10.1016/j.jtice.2020.11.022
Abstract: Abstract β-cyclodextrins (β-CDs) are able to trap and hydrolyze certain nerve agents such as sarin. Herein, we studied the host-guest interactions of sarin with β-CD by performing quantum mechanical (QM) calculations and molecular dynamics (MD)… read more here.
Keywords: guest interactions; interactions nerve; sarin; host guest ... See more keywords