Subject: Re: CCL:NDDO for d-elements

From: [email-masked]
Date: Mon, 27 Mar 2000 08:36:26 -0800

On Mar 25,  5:14pm, Alexander Shchepalov wrote:
> Subject: CCL:NDDO for d-elements
>
> Dear CCL's,
>
> I'm looking for semi-empirical software for calculations molecules with
> d-elements in NDDO aproximation.
>
> Alexander Shchepalov
>
> University of Nizhnii Novgorod, Russia

All of three main stream semi-empirical methods, MNDO, AM1 and PM3, are based
on NDDO approximation. SPARTAN series, developed by Wavefunction, supports
d-function modules MNDOD and PM3(TM).

Jianguo Yu

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