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. 2018 Nov 2;23(11):2859. doi: 10.3390/molecules23112859

Figure 28.

Figure 28

Reaction enthalpy (H in kJ mol−1) profile of the photochemical initiated scission of coumarin-caged model compound 63 to 65 + 66, computed at B3LYP/6-31G(d,p)//PCM(water) level of theory.