Stereoisomer's pij(x) integral having the largest value at the denominator for each simulation. Values in brackets are computed as a ratio between pij(x) integrals for simulations A and B divided by the result for the same stereochemistry computed for simulation C (enhancement).
| Encounter stereochemistry | Simulation A | Simulation B | Simulation C |
|---|---|---|---|
| (Si,Re) | 0.66 (4.08) | 0.85 (3.92) | 0.35 |
| (Si,Si) | 0.71 (3.35) | 0.85 (3.13) | 0.44 |
| (Re,Re) | 1.0 (3.45) | 1.0 (2.57) | 0.63 |
| (Re,Si) | 0.74 (1.59) | 0.95 (1.53) | 1.0 |