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Journal of Chemistry
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2017
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Article
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Tab 1
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Research Article
Molecular Dynamics Study of the Factors Influencing the
β
-Cyclodextrin Inclusion Complex Formation of the Isomers of Linear Molecules
Table 1
Parameters employed in the molecular dynamics simulation.
σ
(Å)
(kcal/mol)
p
2.5
0.07
0.0
2.7
0.07
0.1
3.0
0.09
0.3
3.2
0.09
0.5
3.5
0.14
0.7
3.7
0.18
0.9
4.0
0.18
1.0