Em Wed, 20 Apr 2005 08:12:56 -0700
"David A. Case" <case.scripps.edu> escreveu:
> On Wed, Apr 20, 2005, Nelson Fonseca wrote:
>
>> The important question is: can I calculate the solvation
>> free energy with GB method setting the value for the
>> deilectric cobstant equal to the experimental values for
>> DMSO?
>
> DMSO is a pretty polar liquid, so it makes some sense to
>use its dielectric
> constant instead of that for water. But don't expect
>too much: the GB
> parameters were developed for water as a solvent, and
>there are more
> differences between water and DMSO than just the
>dielectric constants.
>
> ...dac
>
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Experience is what you get when you don't get what you
want.
-- Dan Stanford--
Dr Case,
Could you give me some references for the Gnp parameters
for DMSO? SURFTEN and SURFOFF?
Thanks
Nelson Fonseca
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Received on Wed Apr 20 2005 - 17:53:00 PDT
