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0342646229
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note
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According to eqs 5 and 1, for a monocrystalline structure, the correlations should have been calculated for the components of △R and R parallel to the electric field E, which for the experimental systems is parallel to the lamellar normal z. The orientation of the lamellae in the simulations is not known, and it is assumed that the calculation based on eqs 9-13 can capture the behavior.
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78
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0343080310
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note
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The respective κ calculated with performing the averaging over all of the chains are 2.0 ± 0.38, 2.4 ± 0.40, and 3.2 ± 0.42 for BAB-20, -30, and -60, respectively. These values are consistent with those in Table 5, within the errors of both calculations.
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79
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0343952230
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note
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c.
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81
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0009923173
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Watanabe, H.; Matsuyama, S.; Mizutani, Y.; Kotaka, T. Macromolecules 1995, 28, 6454.
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83
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5744249209
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Metropolis, N.; Rosenbluth, M. N.; Rosenbluth, A. W.; Teller, A. H.; Teller, E. J. Chem. Phys. 1953, 21, 1087.
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Teller, E.5
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