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. 2022 Feb 24;18(3):1329–1339. doi: 10.1021/acs.jctc.1c01184

Figure 9.

Figure 9

Absolute value of triplet–quintet CASPT2 spin–orbit couplings along (a) ν13 and (b) ν15. For clarity, not all triplet–quintet SOCs are shown.