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. 2024 Jul 29;128(31):7545–7557. doi: 10.1021/acs.jpcb.4c03748

Figure 8.

Figure 8

3-Root MS-CAPT2(IPEA = 0.25)[14,12]/ANO-L-VDZP S0 (brown), S1 (blue), S2 (red), T1 (yellow) and T2 (magenta) energies along the S0–S1 path (left) and the S1–S2 path (right).