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. 2017 Jul 5;136(7):86. doi: 10.1007/s00214-017-2113-z

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© The Author(s) 2017

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.

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Fig. 3 — A Lennard-Jones potential (green) where both ε and σ are set to 1 (see Eq. 7), consisting of a repulsive r ⁻¹² contribution (blue) and an attractive r ⁻⁶ contribution (red)