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. 2023 Jul 5;127(28):5872–5886. doi: 10.1021/acs.jpca.3c02899

Figure 3.

Figure 3

Schematic roadmap that provides an overview of the critical geometries optimized with ADC(2) and MS-CASPT2, as well as paths between them. Colored squares denote some of the optimized geometries that appear in more than one PES scan in Figure 4.