In Search of Preferential Macrocyclic Hosts for Sulfur Mustard Sensing and Recognition: A Computational Investigation through the New Composite Method r2SCAN-3c of the Key Factors Influencing the Host-Guest Interactions
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DOI: 10.3390/nano12152517
Abstract: Sulfur mustard (SM) is a harmful warfare agent that poses a serious threat to human health and the environment. Thus, the design of porous materials capable of sensing and/or capturing SM is of utmost importance.… read more here.
Keywords: search preferential; sulfur mustard; hosts sulfur; preferential macrocyclic ... See more keywords