Subject: Re: CCL:Cu/Ag/Au

From: Mikhail Kuzminsky -135-6388 <[email-masked]> (095)
Date: Wed, 23 Feb 94 21:40 MSK

> Recently i got involved in some combined experimental and theoretical
> work on small liganded Cu/Ag/Au cations. I am using standard ab initio
> techniques with different pseudopotential parametrizations. In order to
> avoid errors and/or incompletenes in the reference list I would appreciate
> to point me to publications in this field. I tryed some literature data
> bases, however, the results are poor.
   By my opinion,for calculations with medium-size basis may be good
 non-local pseudopotential by Y.Sakai e.a. .
   If i am correct,it was published in
 Y.Sakai,E.Miyoshi,M.Klobukowski,S.Huzinaga,J.Comp.Chem.,1987,v.8,N3,
 p.226-264
       (unfortunally i can't check it because our shop don't have
this journal :-(  ).

   Some years ago we used this pseudopotential for study of some
Cu-contained compounds,but then we didn't have any experience.

   Mikhail Kuzminsky,
Institute of Organic Chemistry,Moscow
e-mail : [email-masked]