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. 2022 Oct 12;18(11):6892–6904. doi: 10.1021/acs.jctc.2c00380

Figure 2.

Figure 2

Structures of (a) acetone in water, (b) acrolein in water, (c) methylenecyclopropene in water, and (d) adenine–thymine base pair used for CC2-in-DFT excited state calculations. Gray: C, red: O, white: H, and green: N. Visualizations created using CrysX-3D Viewer.70