Research Article

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

Table 2

The mean value of residence time and the mean energy for linear molecules with atomic distribution type (A),  Å,  kcal/mol,  Å,  kcal/mol, different lengths, and ratio p.

 Å Å
(ps) (kcal/mol) (ps) (kcal/mol)

0.02.202.60
0.12.403.20
0.33.504.80
0.53.404.64
0.73.204.30
0.92.403.30
1.02.352.80