Table 2.
The morphologically important faces of ADN by Equilibrium morphology model.
| hkl | Mul | dhkl (Å) | Esurf(tot) (kcal/mol) | Esurf(vdW) (kcal/mol) | Esurf(elect) (kcal/mol) | Esurf(H-bond) (kcal/mol) | Total facet area (%) |
|---|---|---|---|---|---|---|---|
| (1 4 0) | 4 | 2.70 | 0.14 | 0.08 | 0.00 | 0.06 | 17.05 |
| (1 0 0) | 2 | 6.80 | 0.14 | 0.07 | 0.00 | 0.07 | 16.86 |
| (0 1 1) | 4 | 5.00 | 0.16 | 0.07 | 0.00 | 0.10 | 12.09 |
| (1 1-1) | 4 | 4.39 | 0.17 | 0.09 | 0.00 | 0.08 | 7.22 |
| (1 1 1) | 4 | 3.75 | 0.16 | 0.09 | 0.00 | 0.07 | 5.49 |
| (0 2 0) | 2 | 5.89 | 0.14 | 0.09 | 0.00 | 0.06 | 5.35 |
| (1 2 0) | 4 | 4.45 | 0.15 | 0.08 | 0.00 | 0.08 | 4.55 |
| (1 2-1) | 4 | 3.69 | 0.16 | 0.08 | 0.00 | 0.08 | 3.87 |
| (3 6 2) | 4 | 1.25 | 0.16 | 0.08 | 0.00 | 0.07 | 2.82 |
| (1 2 1) | 4 | 3.28 | 0.16 | 0.08 | 0.00 | 0.08 | 2.71 |
| (4 9-4) | 4 | 0.88 | 0.16 | 0.08 | 0.00 | 0.08 | 2.09 |
| (4 9-3) | 4 | 0.95 | 0.16 | 0.08 | 0.00 | 0.08 | 1.95 |
| (3 7-2) | 4 | 1.27 | 0.16 | 0.08 | 0.00 | 0.08 | 1.81 |
| (4 7 4) | 4 | 0.85 | 0.16 | 0.08 | 0.00 | 0.08 | 1.77 |
| (4 9-5) | 4 | 0.80 | 0.17 | 0.08 | 0.00 | 0.09 | 1.27 |
| Total | 86.90 |