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. 2017 Nov 16;8:1539. doi: 10.1038/s41467-017-01478-4

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as 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. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 8 — Methane energy contours of AXUBOL and REGYOT before and after defect introduction. The yellow contours for a pristine AXUBOL and b defective AXUBOL highlight the methane energy surface with 0 kJ mol⁻¹. The blue contours for c pristine REGYOT and d defective REGYOT highlight the methane energy surface with 0 kJ mol⁻¹. The energy contours were produced for T = 298 K. In a and c, linkers highlighted in magenta correspond to the removal of a single linker from one unit cell. (white: hydrogen, gray: carbon, blue: nitrogen, red: oxygen, dark green: nickel, light green: chlorine, orange: copper, purple: lithium)