Articles with "reactivity prediction" as a keyword



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Computational study for the electrophilic reactivity prediction of crown ethers

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Published in 2021 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2021.117418

Abstract: Abstract Crown ethers are kinds of macrocyclic compounds with high selectivity to metal cations, which can be used as ion sensors, ion analytical reagents and ionophores for biological applications. The chemical reactivity of 1,8-dihydroxyl-4,4,5,5-tetramethylbenzo-14-crown-4 had… read more here.

Keywords: reactivity prediction; crown ethers; computational study; reactivity ... See more keywords