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Polymer Nanocomposites: Insights from Theory and Molecular Simulations.

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Figure

Table 4.1:Partial Charges  of Reduced Iron Sulfur core (with charge of -2)
Figure 4.8. The radial densities of the surface monomer around the redox core were calculated
Figure 4.9. Time correlation function of (a) water and (b) chloroform contacts with the dendrimer surface and (c) water and (d) chloroform contacts with the iron sulfur cluster at 0.4 nm and 0.7 nm
Figure 5.1. Chemical Structured Atom Labels of (a) Glucose with Annotation (D-glucopyranose), (b)1-Ethyl-3-methyl imidazolium ([Emim]+), (c) Trifluoromethanesulfonate ([TfO]-)
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