Table 4. ETS–NOCV Results of the Lamellar Stacking in C14H29-NDI in kcal mol–1.
| mode | ΔEint | EPauli | Vele | Eoi | Edis |
|---|---|---|---|---|---|
| a | –3.17 | 3.16 | –0.76 (12%) | –0.85 (13%) | –4.72 (75%) |
| b | –0.55 | 1.53 | –0.24 (12%) | –0.40 (19%) | –1.44 (69%) |
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