Subject: Re: CCL:PM3 parameters for Pb

From: [email-masked]
Date: Tue, 17 Oct 2000 13:47:43 -0700

On Oct 16,  8:57pm, Carlos Frederico wrote:
> Subject: CCL:PM3 parameters for Pb
>
> Hi all.
> Does anyone have the parameters for Pb or Pb+2 in the PM3d method?
> I'am using it in the Spartan PRO program  and trying to model some
> complexes with it.
> Thanks in advance.
> Fred.

James Steward published his PM3 parameters for Pb in "Journal of Computational
Chemistry" (vol12, No.3, 320(1991)). If you use Spartan PRO, the parameters are
built in there. You just need to build your molecules and submit to calculate.

Jianguo Yu

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