CCL:G: Calculation of pka


Dear Kevin,

I am afraid there are no free software for that, but commercial vendors must reduce the prices for academic sectors. I would suggest ACD pKa calculator. It is very fast, and reliable.

Regards,

András Borosy

> Hi,
>   Gaussian98 can do it.
> -dipankar roy
>
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> > Hi folks,
> >   My question is really simple: are there some programs (free of charge)
> > that permit to calculate pka of a determinated compound?
> >
> >   Any help is appreciated
> >
> >   Kevin
> >
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> > <div>Hi folks,</div>  <div>My question is really simple: are there some
> > programs (free of charge) that permit to calculate pka of a determinated
> > compound?</div>  <div>&nbsp;</div>  <div>Any help is appreciated</div>
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> ***********************************************
>    Dipankar Roy
>    Graduate Student of Prof. R. B. Sunoj
>    Computational Chemistry Laboratoty
>    Dept. of Chemistry
>    Indian Institute of Technology, Bombay
>    India - 400076
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