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Figure 11
MEM charge-density distribution of CPL-1 with the adsorption of acetylene. (a) Three-dimensional MEM map as an equal-density contour surface viewed from the nanochannel direction. The equi-density level is 1.0 e Å−3. The central C2H2 molecule and O atoms are represented by green and red, respectively. Section MEM charge densities containing the molecular axis of C2H2 and the a axis of (b) fully adsorbed phase and (c) intermediate adsorbed phase. Contour lines are drawn from 0.00 to 1.00 e Å−3 with intervals of 0.05 e Å−3. Higher-density regions are omitted in the figure.

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ISSN: 2053-2733
Volume 64| Part 1| January 2008| Pages 232-245
https://doi.org/10.1107/S010876730706521X
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