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. 2021 Sep 27;54(20):3760–3771. doi: 10.1021/acs.accounts.1c00485

Figure 2.

Figure 2

Diabatic populations of SO2 during ISC dynamics. (a) Results using ab initio SH (MRCIS). Data were taken from ref (37). (b) Results using an LVC model (parametrized on MRCIS).