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. 2023 Jan 26;127(5):2716–2727. doi: 10.1021/acs.jpcc.2c08688

Figure 5.

Figure 5

Distribution of nitrogen atom adsorption heights as predicted by different dispersion-corrected DFT methods for (a) Cs(TCNQ)4, (b) K(TCNQ)4, (c) K(TCNQ)2, and (d) KTCNQ. Each bar corresponds to the adsorption height of one nitrogen atom.

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