Complex-formation reactions

From: Peeter Burk <peeter -AatT- tera.chem.ut.ee>
Subject: Complex-formation reactions
Date: Mon, 16 Oct 1995 12:08:29 +0200 (EET)

 Dear Colleagues,
      Recently I was asked about the possibility of modeling
 complex formation reaction between metal cations (Mg2++, Zn2++,
 etc.) and different complexing agents (EDTA, citric acid, etc.
 anions) using semiempirical (or ab initio or DFT) calculations.
 It seemed to me an interesting problem and so I looked for
 literature references on this topic. So far I have not found
 anything. Can some kind sound point me to  relevant references?
 And what is your opinion on such modeling - suggestions, tips,
 criticisms?
      I will summarize for the list if there will be something to
 summarize.
 Best regards
           Peeter
 --
 Peeter Burk, Ph.D.                      Jakobi 2, EE2400 Tartu, Estonia
 Institute of Chemical Physics           Phone (372-7) 441-453
 Tartu University                        Fax   (372-7) 441-453
 Estonia                                 E-mail peeter -AatT- chem.ut.ee