From owner-chemistry@ccl.net Sun Jun 18 00:48:01 2006
From: "Chin Hung Lai chinhunglai**ntu.edu.tw" <owner-chemistry=-=server.ccl.net>
To: CCL
Subject: CCL:G: How to calculate Pka value of a compound
Message-Id: <-31951-060617215100-7827-28LKxnDA+OEom0goIgQ42Q=-=server.ccl.net>
X-Original-From: "Chin Hung  Lai" <chinhunglai%x%ntu.edu.tw>
Date: Sat, 17 Jun 2006 21:50:56 -0400


Sent to CCL by: "Chin Hung  Lai" [chinhunglai]![ntu.edu.tw]
Dears all:
  If I have done frequency analysis and single-point solvation energy
calculations by Gaussian 03, how can I use these results to calculate
the pKa value of one compound?
Sincerely yours
                                             Chin-Hung Lai  2006,6,18