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. Author manuscript; available in PMC: 2009 Jul 28.
Published in final edited form as: J Chem Phys. 2008 Jan 21;128(3):034501. doi: 10.1063/1.2815764

Table I.

Parameters for the functional forms of the distant-dependent dielectric “constant” obtained by fitting to the Langevin-Debye model with corrections due to Onsager-Kirkwood. The magnitudes of the partial charges are those for the atoms in DME. The parameters D and D0 are fixed to the static and optical dielectric constants of water, respectively.

Charge (q) Parameters for Eq. (14)
D D0 s
1 78.5 1.77 0.274
0.066 78.5 1.77 1.07
0.163 78.5 1.77 0.68
0.256 78.5 1.77 0.541
0.097 78.5 1.77 0.88