Molecular theory of ultrafast solvation in liquid acetonitrile

Roy, Srabani ; Komath, Snehasudha ; Bagchi, Biman (1993) Molecular theory of ultrafast solvation in liquid acetonitrile Journal of Chemical Physics, 99 (4). pp. 3139-3142. ISSN 0021-9606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v99/i4/p3139_...

Related URL: http://dx.doi.org/10.1063/1.465170

Abstract

A microscopic calculation of solvation dynamics of an immobile solute ion in liquid acetonitrile is presented. The dynamical information necessary for this calculation is obtained from the Kerr and dielectric relaxation of the neat liquid. The calculated solvation time correlation function is in excellent agreement with both the experimental and the simulated results.

Item Type:Article
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