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85034288150
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note
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It must be noted in this context that, even if the packing behavior were identical, the solubility parameters of the different polyolefins would be different because the interaction energies between pairs of methylene units are slightly different from pairs of methyl or methyne units.
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85034283072
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22,23 with the following exception: these authors excluded the nonbonded interaction between one to five pairs because the proximity of this pair casts doubts of the united atom representation of the Lennard-Jones potential. However, we have found it necessary to include this interaction to properly model the experimental data.
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-
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31
-
-
85034292014
-
-
note
-
2-Y) used in the united atom model, because a parallel set of simulations where the hydrogens were included explicitly gives a significantly better agreement between the WAXS and simulations. However, the united atom model appears to be more than adequate at representing structure at longer distances.
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32
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85034284477
-
-
note
-
21 are not adopted in this work for simplicity.
-
-
-
-
34
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-
85034300960
-
-
note
-
3 groups depend on where they are attached, respectively, to secondary, tertiary, or quaternary carbon.
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