Subject: Semi-empirical parametrization

From: "Ilfir R. Ramazanov" <[email-masked]>
Date: Fri, 29 Oct 1999 13:18:42 +0500

Dear CCLer,

Is there a standard routine for an element parametrization for MOPAC? I
had an experience with a mixed Monte Carlo + DFP approach but I don't
know are there standard methods.

Best regards,
Ilfir R. Ramazanov, Ph.D.,
Laboratory of Catalytic Synthesis
Institute of Petrochemistry and Catalysis,
pr. Oktyabrya, 141,
Ufa, 450075, Russia.

mailto:[email-masked]

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29.10.1999 13:09