Subject: Li and Ca in PM3

From: "yu" <[email-masked]>
Date: Mon, 6 Nov 1995 07:44:06 -0800

On Nov 4,  2:42pm, Miroslaw Sopek wrote:
> Subject: CCL:Na,Li,Ca in Pm3 and Am1
> Hello netters,
> Is anybody on the net aware of any trial
> of adding parameters for 'Na' and 'Li' to PM3
> and 'Na' for AM1 ('Li' is already present).
> The same question about parameters for 'Ca'
> in both methods.
>
> I will summarize the answers for the net,
> Mirek
>
> ----------------------------------------------
> dr Miroslaw Sopek
> Institute of Applied Radiation Chemistry
> Lodz, Poland
> ----------------------- [email-masked]
>

Anders et.al have published their Li parameters on PM3 (J. Copmt. Chem.,
14(11), 1301(1993). In Wavefunction, Inc, I have almoust finished the
parameterization of Ca and will release it soon.

Jianguo Yu

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