Subject: ECP for Lanthanides?

From: Yubo Fan <[email-masked]>
Date: Tue, 29 Aug 2000 21:04:27 +0800

Hi,

I am going to deal with some reaction concerning Lanthanides. And I
found a reference (M. Kaupp, P.v.R. Schleyer, M. Dolg, H. Stoll, J. Am.
Chem. Soc. 1992, 114, 8202), in which some particular ECP basis sets
were used. These ECPs treat [Kr]_4d10_4fx as fixed core. Could you
please tell me where can I get these basis sets. If I muse edit the G98
files for these basis sets based on references, how should I do.

I will summarize.

Thanks in advance

Y. Fan

--
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Yubo Fan                         Email: [email-masked]
Organic Synthesis Lab
The Department of Chemistry
Fudan University                 Phone: 8621-65648139
No. 220 Handan Road              Fax:   8621-65641740
Shanghai, 200433
P. R. China
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