CCL: Solvent mixtures
- From: Andreas Klamt <klamt(a)cosmologic.de>
- Subject: CCL: Solvent mixtures
- Date: Wed, 25 Apr 2012 14:07:38 +0200
Sent to CCL by: Andreas Klamt [klamt]^[cosmologic.de]
Hi Pinar (or Zeynep?),
what kind of properties are you looking for in this mixture.
I guess my COSMO-RS is almost the only of the QM connected solvation
methods which can do quantitative mixture thermodynamics. But a more
detailed answer would require to know what property you want to
calculate.
Best regards
Andreas
Am 25.04.2012 12:37, schrieb Zeynep Pinar p_catastrophe(~)hotmail.com:
Sent to CCL by: "Zeynep Pinar" [p_catastrophe],[hotmail.com]
Hello,
Can anyone please suggest me how to make a single point calculation in a two
solvents mixture environment; namely toluene:water (ratio=4:1) ?
Best regards.>
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