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Figure 2
The scatter plot of Iρ and IK for the structures obtained from 100 independent calculations in phytantriol [Pn\bar 3m] (a) and [Ia\bar 3d] (b) and C12EO6 (c). The orange circles were obtained with the parameters in Table 2[link], and the black crosses were obtained with those in Table 3[link]. The sky-blue squares are the values of the true structures obtained previously. The green triangle in (c) was obtained with the parameters in Table 2[link] other than vp.

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ISSN: 2053-2733
Volume 79| Part 1| January 2023| Pages 51-58
https://doi.org/10.1107/S2053273322010786
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