Table V.
Deformation energy εt and equilibrium values ϕ0 for the torsional potentials.
| Potential | C3-C1-N-C | C3-P-C3-C1 | C1-C3-P-C3 |
|---|---|---|---|
| εt (eV) | 0.5 | 0.5 | 0.5 |
| ϕ0 | 0 | −26.21° | 48.58° |
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