Subject: Re: Semi-empirical parameters for Ca

From: "Jianguo Yu" <[email-masked]>
Date: Fri, 8 Nov 1996 08:01:48 -0800

On Nov 8, 12:38pm, Jean-marie Teuler wrote:
> Subject: CCL:M:Seeking semi-empirical parameters for the element Ca
> Dear netters,
>
> There was recently a question (and an answer) on this list for references to
> parameters for element Mg to be used with Mopac.
>
> One of my users has the same question regarding element Ca.
>
> Are there any published semi-empirical parameters for calcium ?
>
> Truly,
>
> /--------------------------------------------------------\
> |  Jean-Marie Teuler |                                   |
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>

I have optimized the Ca parameters based on PM3. The parameters is in
WAVEFUNCTION, INC.'s FTP site. If you want more details about this, please
contact us.

Regards!

Jianguo Yu

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