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. 2017 Apr 13;8:14987. doi: 10.1038/ncomms14987

Figure 8. Theoretical calculations of the rISC rate as a function of conformer and 3 versus 4 state coupling.

Figure 8

(a) The rISC rate in D-A versions of the two isomers, showing that the D-A unit of 2,8-DPTZ-DBTO2 is twice as efficient at rISC compared to the Deq-A unit of 3,7-DPTZ-DBTO2. (b) Comparing the 3 and 4 state model showing that there is minimal change with the consideration of a fourth state (3LEA). Computational details for these simulations are shown in Supplementary Table 14.