Subject: DFT for hydrogen bond

From: Yubo Fan <[email-masked]>
Date: Tue, 06 Feb 2001 11:09:57 +0000

Hi, everyone,

I know most of DFT methods are not good to the calculation of Hydrogen
Bonding. But a friend of mine told me somebody developed a DFT method
that can be used in HB calculations. What is this method?

Are there some papers using different methods (DFT methods preferred) to
calculate HB and systematically compare them? Any advice is helpful.

Thanks in Advance

Yubo Fan

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Dr. Yubo Fan               Email: [email-masked]
Department of Chemistry    Tel:   1-979-845-7222
Texas A&M University
College Station, TX 77843
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