TY - JOUR
T1 - β-cyclodextrin inclusion complex with adamantane Intermolecular 1H{1H} NOE determinations and molecular mechanics calculations
AU - Jaime, C.
AU - Redondo, J.
AU - Sánchez-Ferrando, F.
AU - Virgili, A.
PY - 1991/8/15
Y1 - 1991/8/15
N2 - 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.
AB - 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.
U2 - 10.1016/0022-2860(91)80039-7
DO - 10.1016/0022-2860(91)80039-7
M3 - Article
SN - 0022-2860
VL - 248
SP - 317
EP - 329
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
IS - 3-4
ER -