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. 2024 Sep 17;128(38):8035–8044. doi: 10.1021/acs.jpca.4c03711

Figure 3.

Figure 3

3D isosurface of the reduced density gradient (s) isosurface (s = 0.3 au) for molecules 1b (a), 1c (b), and 1d (c). All geometries are in the twisted optimized electronic ground state form.