Table 2. Summary of ETS–NOCV Results for π-Stacking in kcal mol–1.
| Ta | Tp | Tq | Edis(Ta)a | Edis(Tp)a | Edis(Tq)a | |
|---|---|---|---|---|---|---|
| C14H29-NDI | –37.00 | –28.97 | –7.79 | –49.45 (73%)b | –37.86 (73%) | –5.80 (44%) |
| C12H25-NDI | –35.46 | –26.14 | –7.76 | –47.36 (71%) | –34.42 (71%) | –5.74 (42%) |
| C6H13-NDI | –23.99 | –13.92 | –7.44 | –28.65 (70%) | –16.74 (72%) | –7.09 (50%) |
| C5H11-NDI | –22.59 | –15.92 | –8.62 | –26.65 (66%) | –19.62 (68%) | –7.75 (47%) |
| C4H9-NDI | –22.10 | –9.31 | –6.57 | –26.39 (62%) | –10.92 (66%) | –4.33 (39%) |
| C2H5-NDI | –20.83 | –8.45 | –5.96 | –24.26 (63%) | –10.14 (65%) | –3.77 (34%) |
| 1-CH3C6H12-NDI | –21.64 | –21.26 | –3.29 | –26.40 (70%) | –25.87 (70%) | –4.92 (69%) |
a
Edis(Ta) represents the Edis in Ta, Edis(Tp) represents the Edis in Tp, and Edis(Tq) represents the Edis in Tq.
b
Percentage of total stabilization.