Subject: MOPAC: parameters for transition metals

From: [email-masked] (rprf526-int)
Date: Tue, 12 Nov 96 08:12:25 EST

Collegues:
     
     I am looking for parameters of metals, mainly 
     transition ones, for MOPAC (MNDO or PM3)
     I really appreciate any information!
     
     Regards,
     
     Manuel J. Goncalves
     Proccess Department
     Intevep

---

From: Serge Gorelsky <[email-masked]>
Date: Tue, 12 Nov 1996 13:21:25 -0500 (EST)

New version of Spartan has PM3(tm) with some transition metals. Atomic
parameters for MOPAC can be obtained from corresponding Spartan's
parameter files.

________________________________________________________________

  Serge Gorelsky                                         
  Inorganic Chemistry Laboratory                   
  Department of Chemistry, York University                        
  4700 Keele St., North York, Toronto, Ontario M3J 1P3, Canada            
  tel.(416) 736-2100 ext#77720                                   
________________________________________________________________       

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