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Molecular theory of ultrafast solvation in liquid acetonitrile

Roy, Srabani and Komath, Snehasudha and Bagchi, Biman (1993) Molecular theory of ultrafast solvation in liquid acetonitrile. In: The Journal of Chemical Physics, 99 (4). pp. 3139-3142.

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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: Journal Article
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Additional Information: Copyright of this article belongs to American Institute of Physics.
Keywords: Solvation;Liquids;Dynamics;Solutes;Ions;Acetonitrile;Kerr effect;Dielectric properties;Relaxation;Correlation functions
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 29 Jun 2006
Last Modified: 19 Sep 2010 04:29
URI: http://eprints.iisc.ernet.in/id/eprint/7733

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