Table 3.
Different components of the fragment interaction energy (in kcal/mol) for stacked thymine oligomers.
| Length of oligomers | Frag. interaction energy | Coulomb energy | Exch-repulsion energy | Polarization energy | Dispersion energy |
|---|---|---|---|---|---|
| 2 | −3.75 | 0.21 | 1.47 | −0.28 | −5.15 |
| 3 | −7.68 | 0.35 | 2.93 | −0.56 | −10.41 |
| 4 | −11.63 | 0.48 | 4.40 | −0.83 | −15.68 |
| 5 | −15.60 | 0.59 | 5.87 | −1.09 | −20.96 |
| 6 | −19.57 | 0.69 | 7.34 | −1.36 | −26.24 |
| 7 | −23.57 | 0.76 | 8.81 | −1.61 | −31.52 |
| 8 | −27.55 | 0.84 | 10.28 | −1.87 | −36.80 |
| 9 | −31.53 | 0.93 | 11.75 | −2.12 | −42.09 |
| 10 | −35.51 | 1.02 | 13.22 | −2.38 | −47.37 |
| 12 | −43.44 | 1.23 | 16.16 | −2.90 | −57.93 |
| 14 | −51.37 | 1.45 | 19.10 | −3.42 | −68.50 |
| 16 | −59.32 | 1.64 | 22.04 | −3.94 | −79.06 |
| 18 | −67.26 | 1.85 | 24.98 | −4.46 | −89.62 |
| 20 | −75.19 | 2.05 | 27.91 | −4.98 | −100.17 |