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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