Table 1.
Conformational entropy parameters of allowed nets and transition barriers. β = 3/2ab, with Kuhn length b = 2.5a and a = 6 Å
| Class of net | D | A1 | A2 | A3 |
|---|---|---|---|---|
| Open-net-0 | 1 | 0 | 0 | 0 |
| Open-net-1 | s0 | β/D | 0 | 0 |
| Open-net-2a | s0s1 + s0s2 + s1s2 | β(s1 + s2)/D | β(s0 + s1)/D | βs1/D |
| Open-net-2b | s1(s0 + s2) | βs1/D | β(s0 + s1 + s2)/D | βs1/D |
| Closed-net-0 | s0 | 0 | 0 | 0 |
| Closed-net-1 | s0s1 | β(s0 + s1)/D | 0 | 0 |
| Closed-net-2a | s0s3(s1 + s2) + s1s2(s0 + s3) | β(s0 + s3)(s1 + s2)/D | β(s2 + s3)(s0 + s1)/D | β(s0s2 − s1s3)/D |
| Closed-net-2b | s1s3(s0 + s2) | β(s0 + s2 + s3)s1/D | β(s0 + s1 + s2)s3/D | βs1s3/D |
| A transition barrier in closed-net-2ab (see Supplementary Material 2) | s0s3(s1 + s4)(s2 + s5) + s1s4(s0 + s3)(s2 + s5) + s2s5(s0 + s3)(s1 + s4) | β[(s1 + s4)(s0s3 + s2s5) + (s1 + s4)(s3s5 + s0s2) + s1s4 (s3 + s0 + s2 + s5)]/D | β[(s0 + s3)(s1s4 + s2s5) + (s0 + s3)(s1s5 + s2s4) + s0s3 (s1 + s4 + s2 + s5)]/D | β[s1s4(s0 + s3) + s0s3(s1 + s4) + (s2s0s4 + s5s3s1]/D |