Naringenin encapsulation in β-CD and in heptakis(2,6-di-O-methyl)-β-CD:NMR, NBO and QTAIM analysis
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DOI: 10.1007/s10847-018-0785-1
Abstract: Using quantum chemistry, we modeled the docking process of flavanone Naringenin guest molecule (Narg) in the host β-Cyclodextrin (β-CD) and also in modified heptakis(2,6-di-O-methyl)-β-CD (DIMEB). The effect of host methylation on the complexation behavior was… read more here.
Keywords: analysis; chemistry; qtaim analysis; nmr nbo ... See more keywords