Dipole solvation in dielectrics.
نویسنده
چکیده
This paper presents an exact solution for the free energy of linear solvation of a dipolar solute in an arbitrary dielectric material with a microscopic spectrum of polarization fluctuations. The solution is given in terms of wave vector-dependent longitudinal and transverse structure factors of the polarization fluctuations in the pure dielectric. Good agreement with computer simulations of dipole solvation in dipolar and dipolar--quadrupolar liquids is achieved.
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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 120 3 شماره
صفحات -
تاریخ انتشار 2004