Treatment of the outlying charge in continuum solvation models
Continuum solvation models have proven to yield very valuable information about solvation effects, if cavities close to the van der Waals surface of the solutes are used for the...
Continuum solvation models have proven to yield very valuable information about solvation effects, if cavities close to the van der Waals surface of the solutes are used for the...
The continuum solvation model COSMO and its extension beyond the dielectric approximation (COSMO-RS) have been carefully parametrized in order to optimally reproduce 642 data po...
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