Molecular Dynamics Study of the Factors Influencing the β-Cyclodextrin Inclusion Complex Formation of the Isomers of Linear Molecules

Figure 3

(a) Projections on the and plane of the probability density of presence for linear molecules with  Å,  Å,  kcal/mol,  Å,  kcal/mol, and . A schematic representation of the projections of the cavity has been inserted in the figure. (b) Same as (a) for linear molecules with  Å,  Å,  kcal/mol,  Å,  kcal/mol, and .

(a)

(b)