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Beilstein J. Org. Chem. 2012, 8, 2191–2201, doi:10.3762/bjoc.8.247
Graphical Abstract
Figure 1: Schematic representation of the β-cyclodextrin (a) and propiconazole (b) molecules.
Figure 2: PM3 optimized molecular geometries of the β-CD/PP inclusion compounds involved in the assessment of...
Figure 3: Molecular coordinates used to describe the relative position between the β-CD and guest molecules.
Figure 4: Evolution of the stabilization energy during the movement along the z axis in the case of (a) A and...
Figure 5: PM3 optimized molecular geometry of the β-CD/PP inclusion compounds in (a) A configuration and in (...
Figure 6: AM1 optimized molecular geometry of the β-CD/PP inclusion compounds, for both (a) A and (b) B confi...
Figure 7: Variation of the stabilization energy during the movement along the z axis, in the case of (a) A an...
Figure 8: PM3 optimized molecular geometry of β-CD/PPH+ inclusion compounds in the (a) A and (b) B configurat...
Figure 9: AM1 optimized molecular geometry of the inclusion compounds β-CD/PPH+ in the (a) A and (b) B config...
Figure 10: MM+ optimized molecular geometry of the (a) β-CD/PP and (b) β-CD/PPH+ inclusion complexes, in both ...