From chemistry-request@ccl.net Sat May 18 17:08:36 1991
Date:         Sat, 18 May 91 22:32:05 CET
From: "Jan P. Radomski" <CKJ25%PLEARN@OHSTVMA.ACS.OHIO-STATE.EDU>
Subject:      Sulfur parameters for AM1
To: chemistry <chemistry@ccl.net>
Status: R

I wonder whether the parameters for sulfur in the AM1 parametrization
were published yet? Some time ago, MOPAC output listed them as available
>from private communication with one of the authors.
Regards,

Jan Radomski
Chemistry Department,
Warsaw University,
Pasteura 1,
02-093 Warsaw,
Poland.

From chemistry-request@ccl.net Sat May 18 19:03:26 1991
Date:     Sat May 18 11:36:17 1991
From: <AAIZMAN%UTFSM.BITNET@OHSTVMA.ACS.OHIO-STATE.EDU>
Subject:  request
To: <chemistry@ccl.net>
Status: R

  We are interested in performing density calculations on some
monoatomic ions. We have had problems in getting the Slater atomic
functions (coefficients and exponents) as given in the Clementi and
Roetti tables for +2 cations: Be++, Mg++ and Ca++. If anybody has
those tables available or any reference containing these information
(other than the documents deposited in the Library of Congress), and
is willing to share them with us, please contact
Arie Aizman
e-mail: AAIZMAN@UTFSM
 Thanks,                                   ARIE AIZMAN
                                           UTFSM, VALPARAISO
                                           CHILE

From chemistry-request@ccl.net Sun May 19 08:06:12 1991
Date: Sun, 19 May 91 06:33 CST
From: Andy Holder <AHOLDER@VAX1.UMKC.EDU>
Subject: Sulfur Parameters for AM1
To: CHEMISTRY@ccl.net
Status: R


  The sulfur parameters were indeed published and appear to perform
   quite nicely:

	Dewar, Yuan;  "Inorg. Chem.", 29 (1990) 3881.


   Andy Holder
   University of Missouri-Kansas City
   Dept. of Chemistry
   AHOLDER@UMKCVAX1