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Custom compounds
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Author:  yan [ Fri Feb 07, 2014 8:04 pm ]
Post subject:  Custom compounds

I understand that in order to add custom compounds we need to input the slope and intercept for log(Kw) vs T and S vs T, but is there a way to get those values without actually measuring Kw and S at different temperatures in lab? In the other words, are those values already tabulated or can I calculate them someway? I am a student just start trying this out, and I would appreciate it if somebody could help me with this question, thanks in advance!

Author:  pgboswell [ Sun Feb 16, 2014 4:15 pm ]
Post subject:  Re: Custom compounds

Hi yan,

There isn't any such database yet. We're building something like that right now, although it's currently only at one temperature (http://www.retentionprediction.org/hplc ... /index.php).

Paul

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