Abstract
NOE experiments on the β-cyclodextrin (CD) /adamantane complex unequivocally demonstrate that the guest is inside the host cavity. Molecular mechanics calculations indicate the absence of preference by the guest for one single orientation. The host/guest supermolecule has been fully optimized and results show that adamantane is in the narrower half of the β-CD torus. © 1991.
Original language | English |
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Pages (from-to) | 317-329 |
Journal | Journal of Molecular Structure |
Volume | 248 |
Issue number | 3-4 |
DOIs | |
Publication status | Published - 15 Aug 1991 |