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. 2015 Sep 8;5:13625. doi: 10.1038/srep13625

Table 1. Comparison of internal conversion rates obtained from a first-order irreversible population model for B → Qx, Qx → Qy, and B → Qy pathways.

Mol. B ⟶ Qx
Qx ⟶ Qy
B ⟶ Qy
k1 (fs−1) τ1 (fs) k2 (fs−1) τ2 (fs) τtot (fs)
ChlA 0.0101 99.2 ± 1.1 0.00781 128 ± 2 227 ± 3
ChlB 0.0173 57.9 ± 1.4 0.00481 208 ± 3 267 ± 4

Populations of specific excited states were averaged from 500 trajectories in the NA-ESMD simulations. Error bars represent the standard deviation from a convergence check on unique combinations of the NA-ESMD excited states trajectories.