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The rate constants (ns−1) of the transitions in the migration obtained by TST (kTST), MFPT (kMFPT), MD simulations (kMD), and MFPT transmission coefficient (κMFPT), respectively
| DP→Xe4 | Xe4→Xe2 | Xe2→Xe1 | |
|---|---|---|---|
| kTST | 8.92 × 10 | 1.15 × 10 | 1.24 × 102 |
| kMFPT | 3.20 × 10−1 | 1.31 × 10−1 | 3.25 × 10−1 |
| kMD | 2.21 × 10−1 | ||
| κMFPT | 3.59 × 10−3 | 1.14 × 10−3 | 2.62 × 10−3 |
