Analysis of torsional energy and interaction energy of electrophilic addition transition state structure.
| TS | ΔEdist | ΔΔEdist | ΔEint | ΔΔEint | ΔE≠ | ΔΔE≠ | ||
|---|---|---|---|---|---|---|---|---|
| Cat. | Subst. | Total | ||||||
| R | 4.8 | 42.7 | 47.5 | 6.8 | −59.8 | 4.2 | −12.3 | 11.0 |
| S | 9.8 | 44.5 | 54.3 | −55.6 | −1.3 | |||
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