Kevin div>

__________________________________________________
Do You > Yahoo!?
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http://mail.yahoo.com > --0-147654940-1147098689=:16061-- > > > > -= This is automatically added to each message by the mailing > script =- > To recover the email address of the author of the message, please > change> Conferences: http://server.ccl.net/chemistry/announcements/ > conferences/ > > Search Messages: http://www.ccl.net/htdig (login: ccl, Password: > search)> > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+- > +-+-+ > Jason D. Thompson, Ph.D. Molecular Pharmacology and Experimental Therapeutics Mayo Clinic Guggenheim 6-93 200 First Street SW Rochester, MN 55905 http://pollux.chem.umn.edu/~thompson --Apple-Mail-24--778235113 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=ISO-8859-1 This may not be what you are = looking for, but you may want to check out:

Kelly, C. P.; Cramer, C. = J.; Truhlar, D. G. J. Phys. Chem. A 2006, 2493

Their methods are = implemented in the free programs GAMESSPLUS (http://comp.chem.umn.edu/game= ssplus), and add-on module to the free GAMESS program, HONDOPLUS (http://comp.chem.umn.edu/hondo= plus), a standalone program based on the HONDO program, and SMxGauss = (http://comp.chem.umn.edu/smxgau= ss), a (relatively) user-friendly front-end to HONDOPLUS that can be = used in conjunction with Gaussian03 and its "External" = command.

On May 9, 2006, at 3:25 AM, kevin abbot = kevanabbot]![yahoo.com wrote:

Sent to CCL by: kevin abbot = [kevanabbot=3D-=3Dyahoo.com]

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Hi folks,
=A0 My = question is really simple: are there some programs (free of charge) that = permit to calculate pka of a determinated compound?

=A0 Any help is = appreciated

=A0 = Kevin

Do You Yahoo!?
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<div>Hi = folks,</div>=A0 = <div>My question is really simple: are there some programs = (free of charge) that permit to calculate pka of a determinated = compound?</div>=A0 = <div> </div>=A0 <div>Any help is = appreciated</div>=A0 = <div> </div>=A0 = <div>Kevin</div><p>______________________________= ____________________<br>Do You Yahoo!?<br>Tired of = spam?=A0 Yahoo! Mail has = the best spam protection around <br>http://mail.yahoo.com=A0

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=

Jason D. Thompson, Ph.D.

Molecular Pharmacology and Experimental = Therapeutics

Mayo Clinic

Guggenheim 6-93

200 First Street SW

Rochester, MN 55905

http://pollux.chem.umn.edu/~= thompson

= --Apple-Mail-24--778235113--