Re: CCL:B3LYP for H-bonded systems

From: "Dr. Heinz Schiffer" <schiffer ( ( at ) ) h1tw0036.hoechst.com>
Organization: Hoechst Corporate Research & Technology
Subject: Re: CCL:B3LYP for H-bonded systems
Date: Tue, 12 Aug 1997 15:12:30 +0200

 Anatoli Korkin wrote:
 >
 > Dear CCLers,
 >
 > Does any one know references on comparative ab initio and DFT (preferably
 > B3LYP) studies of H-bonded systems and proton transfer? Any reviews on
 > this topic?
 >
 > Thank you,
 >
 > Anatoli Korkin
 See for a very recent review :
 	Carlo Adamo, Vincenzo Barone
 	Structural and Dynamical Features of Hydrogen Bonds
 	from Conventional and Hybrid Density Functional Methods
 	in : Recent Advances in Density Functional Meythods, Part II,
 	Ed.: Delano P. Chong, World Scientific, 1997, Chap. 5,
 	pp. 115-164
 	( Recent Advances in Computational Chemistry, Vol.1 )
 --
 Dr. Heinz Schiffer              Phone   ++49-69-305-2330
 Hoechst CR&T                    Fax     ++49-69-305-81162
 Scientific Computing, G864      Email   schiffer ( ( at ) ) h1tw0036.hoechst.com
 65926 Frankfurt am Main                 Schiffer ( ( at ) ) CRT.hoechst.com