From wgalazka@chem.uw.edu.pl  Mon Oct  4 09:57:58 1993
Organization: 	Department of Chemistry, University of Warsaw
From: "Wojciech Galazka" <wgalazka@chem.uw.edu.pl>
Date: Mon, 4 Oct 93 15:57:58 CST
Message-Id: <621.wgalazka@zoolook.chem.uw.edu.pl_POPMail/PC_3.2.3_Beta_2>
To: chemistry@ccl.net
Subject: Semiempirical programs with d,f orbitals


Hi
   Does anybody know if there are any quantum semiempirical programs
   with d, f orbitals included? The only one I know is SINDO1 (for reference
   see K.Jug R.Iffert J.Schulz 'Development and Parametrization of SINDO1 
   for Second-row Elements' Int.J. Quant. Chem. 32 265-277 (1987)}.
   I have heard about MNDO-like methods with artificially included d 
   orbitals but results obtained by them are not good for hypervalent 
   sulphur compounds.
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//                                                        //
//  Wojciech Galazka                                      //       
//  Computer Center                                       //
//  Chemistry Department,  University of Warsaw           //
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