A computational study of the inclusion of β-cyclodextrin and nicotinic acid: DFT, DFT-D, NPA, NBO, QTAIM, and NCI-RDG studies

Houdhaifa R. Belhouchet, Tahar Abbaz, Amel Bendjedou, Abdelkrim Gouasmia, Didier Villemin

Journal of Molecular Modeling · 2022 · 20 citations · 47 references

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