Table 3.
Distance between atoms at which integral of r−4 over the neck region (defined in equations 13–15) has the maximum value, tabulated for a range of radii for atoms 1 and 2, assuming a solvent molecule (Rw) radius of 1.4 Å. These are the values used for d0 in equations 6 and 7. Distances and atom radii in angstroms.
| Atom 1 Atom 2 |
1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 |
|---|---|---|---|---|---|---|---|
| 1.20 | 2.6797 | 2.7250 | 2.7719 | 2.8188 | 2.8656 | 2.9125 | 2.9609 |
| 1.25 | 2.7359 | 2.7813 | 2.8281 | 2.8750 | 2.9219 | 2.9688 | 3.0156 |
| 1.30 | 2.7922 | 2.8375 | 2.8844 | 2.9297 | 2.9766 | 3.0234 | 3.0719 |
| 1.35 | 2.8500 | 2.8953 | 2.9406 | 2.9859 | 3.0328 | 3.0797 | 3.1266 |
| 1.40 | 2.9062 | 2.9516 | 2.9969 | 3.0422 | 3.0891 | 3.1359 | 3.1828 |
| 1.45 | 2.9625 | 3.0078 | 3.0531 | 3.0984 | 3.1437 | 3.1906 | 3.2375 |
| 1.50 | 3.0188 | 3.0641 | 3.1078 | 3.1547 | 3.2000 | 3.2469 | 3.2922 |
| 1.55 | 3.0750 | 3.1203 | 3.1641 | 3.2094 | 3.2563 | 3.3016 | 3.3484 |
| 1.60 | 3.1313 | 3.1750 | 3.2203 | 3.2656 | 3.3109 | 3.3563 | 3.4031 |
| 1.65 | 3.1875 | 3.2313 | 3.2766 | 3.3203 | 3.3656 | 3.4125 | 3.4578 |
| 1.70 | 3.2437 | 3.2875 | 3.3313 | 3.3766 | 3.4219 | 3.4672 | 3.5125 |
| 1.75 | 3.3000 | 3.3422 | 3.3875 | 3.4312 | 3.4766 | 3.5219 | 3.5688 |
| 1.80 | 3.3547 | 3.3984 | 3.4422 | 3.4875 | 3.5313 | 3.5766 | 3.6234 |
| Atom 1 Atom 2 |
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 |
|---|---|---|---|---|---|---|
| 1.20 | 3.0078 | 3.0562 | 3.1047 | 3.1531 | 3.2016 | 3.2500 |
| 1.25 | 3.0641 | 3.1109 | 3.1594 | 3.2078 | 3.2563 | 3.3047 |
| 1.30 | 3.1188 | 3.1672 | 3.2141 | 3.2625 | 3.3109 | 3.3594 |
| 1.35 | 3.1750 | 3.2219 | 3.2703 | 3.3172 | 3.3656 | 3.4141 |
| 1.40 | 3.2297 | 3.2766 | 3.3250 | 3.3719 | 3.4203 | 3.4688 |
| 1.45 | 3.2844 | 3.3313 | 3.3797 | 3.4266 | 3.4750 | 3.5234 |
| 1.50 | 3.3391 | 3.3875 | 3.4344 | 3.4813 | 3.5297 | 3.5781 |
| 1.55 | 3.3953 | 3.4422 | 3.4891 | 3.5359 | 3.5844 | 3.6313 |
| 1.60 | 3.4500 | 3.4969 | 3.5438 | 3.5906 | 3.6391 | 3.6859 |
| 1.65 | 3.5047 | 3.5516 | 3.5984 | 3.6453 | 3.6922 | 3.7406 |
| 1.70 | 3.5594 | 3.6063 | 3.6531 | 3.7000 | 3.7469 | 3.7953 |
| 1.75 | 3.6141 | 3.6609 | 3.7078 | 3.7547 | 3.8016 | 3.8484 |
| 1.80 | 3.6688 | 3.7156 | 3.7625 | 3.8094 | 3.8563 | 3.9031 |