Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study
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DOI: 10.1002/jcc.26977
Abstract: Computations play a critical role in deciphering the nature of host–guest interactions both at qualitative and quantitative levels. Reliable quantum chemical computations were employed to assess the nature, binding strength, and selectivity of ionic, and… read more here.
Keywords: cationic anionic; neutral guests; binding propensity; selectivity cationic ... See more keywords