Subject: Complex-formation reactions

From: Peeter Burk <[email-masked]>
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 [email-masked]