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. Author manuscript; available in PMC: 2022 Nov 14.
Published in final edited form as: J Chem Phys. 2010 Jun 28;132(24):244109. doi: 10.1063/1.3432620

Table IV.

Fit parameters of the auto-correlation function of the collective rotational dipole moment 〈MD(0) · MD(t)〉 according to f(t)=kAkcos(ωkt+δk)et/τk.

x H 2 O A1 [D2] τ1 [ps] A2 [D2] τ2 [ps] A3 [D2] τ3 [ps] A4 [D2] τ4 [ps]
0.974 0.17 794 12.3·104 12.84 6.14·104 5.41 994 0.09
0.932 5.00 60.0 9.45·104 22.51 2.80·104 6.09 2022 0.20
0.899 8.25·104 25.77 0.959·104 3.50 1374 0.14
0.852 1680 398 5.47·104 41.77 0.989·104 7.16 2400 0.30
0.785 1410 2500 4.05·104 90.27 1.12·104 12.26 2206 0.25
0.653 15300 223 1.32 104 41.51 0.289 104 1.85