From jaeric&$at$&mtcamm.monsanto.com Thu Apr 22 02:59:49 1993 From: Jon A. Erickson Message-Id: <9304221259.AA21933 /at\mtcamm.monsanto.com> Subject: Re: Request for ZNDO information To: chemistry;at;ccl.net (OSU Comp. Chem. List) Date: Thu, 22 Apr 93 7:59:49 CDT > Could anyone please post or email on any information about the ZNDO/ZINDO? > program. Reference etc. It is my understanding that it uses d orbitals in > semi-empirical calculations. > > Thanks. > > Charles G James > Chemistry Department > University of North Carolina at Asheville. > One University Heights > Asheville, NC 28804-3299 > > Phone: 704-251-6443 > > james -x- at -x- unca.edu ZINDO: M.C. Zerner, Dept. of Chem., U. of Florida, Gainsville, FL 32611 I think ZINDO contains the INDO/S Hamiltonian, which is parameterized for transition metals (d orbitals). -- ################################################################ # Jon Erickson e-mail: jaeric&$at$&mtcamm.monsanto.com # # Monsanto Company, U3E phone: (314) 694-1511 # # 800 N. Lindbergh Blvd. # # St. Louis MO, 63167 # # # # What is a magician but a practising theorist? # # -- Obi-Wan Kenobi # ################################################################