Table 1. Electric field magnitudes, and angles between the electric field and the water molecule dipole moments, measured at the water molecules’ centres of mass.
See §2.4 for the definition of the angles α and β and for the estimation of uncertainty values. The raw angle is that between the water molecule dipole moment and the electric field vector.
| Water molecule label | Electric field magnitude (GV m−1) | Raw angle (°) | α angle (°) | β angle (°) | Water O-atom B factor (Å2) |
|---|---|---|---|---|---|
| 1 | 16.6 (7) | 31 (4) | 26 (4) | 15 (3) | 10.6 |
| 3 | 19.6 (6) | 9 (2) | 8 (4) | 3 (2) | 12.4 |
| 6 | 11.3 (6) | 50 (5) | 17 (6) | 45 (5) | 11.5 |
| 7 | 11.5 (7) | 27 (4) | 7 (7) | 26 (4) | 11.7 |
| 8 | 8.9 (7) | 45 (5) | 13 (6) | 42 (5) | 12.8 |
| 13 | 21.4 (8) | 62 (3) | 58 (3) | 14 (4) | 11.6 |
| 17 | 11.1 (7) | 58 (5) | 40 (5) | 34 (4) | 14.3 |
| 20 | 18.6 (9) | 15 (3) | 5 (5) | 14 (3) | 17.8 |
| 24 | 16.3 (7) | 51 (5) | 39 (5) | 27 (3) | 14.5 |
| 26 | 13.7 (7) | 22 (6) | 5 (8) | 21 (6) | 22.8 |
| 28 | 18.3 (7) | 11 (5) | 9 (7) | 6 (4) | 24.2 |
| 30 | 18.2 (5) | 31 (5) | 12 (6) | 29 (4) | 20.4 |
| 31 | 6.6 (7) | 78 (7) | 60 (6) | 27 (5) | 13.4 |
| 38 | 16.2 (7) | 41 (4) | 32 (5) | 23 (4) | 15.5 |
| 51 | 16.0 (8) | 17 (4) | 15 (7) | 8 (4) | 19.4 |
| 67 | 18 (1) | 19 (5) | 2 (5) | 19 (5) | 29.7 |
| 103 | 17.4 (7) | 35 (3) | 0 (5) | 35 (3) | 28.2 |