Molecular Models of Solvation in Polar Liquids
β Scribed by G. N. Chuev; M. V. Basilevsky
- Publisher
- John Wiley and Sons
- Year
- 2004
- Weight
- 59 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0931-7597
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π SIMILAR VOLUMES
We present a formal and numerical analysis of the errors related to the use of molecular cavities in the continuum description of soluteαsolvent electrostatic interactions. In this approximation the solvent response is fully described by an apparent charge distribution induced on the cavity surface.
## Abstract A new linear solvation energy relationship (LSER) equation, where the solute internal energy term has been incorporated into the traditional LSER equation, is used for the analysis of solvation in ionic liquids. Modeling results obtained using the new LSER equation indicate that all sol