Table 2
CAB model parameters introduced in the LEAPR module [8] for 1H in HO at 294 K [4].
| Parameter | Value |
|---|---|
| Translational weight ωt | 7.91810−3 |
| Continuous spectrum weight ωc | 0.522 |
| Bending mode energy E1 (meV) | 205.0 |
| Bending mode weight ω1 | 0.157 |
| Stretching modes energy E2 (meV) | 415.0 |
| Stretching mode weight ω2 | 0.313 |
| Diffusion constant c | 3.969 |
Free scattering cross section  (b) |
20.478 |
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