Re: CCL:B3LYP for H-bonded systems

From: "Jan M.L. Martin" <comartin;at;wicc.weizmann.ac.il>
Subject: Re: CCL:B3LYP for H-bonded systems
Date: Tue, 12 Aug 1997 16:59:39 +0300 (IDT)

 On Tue, 12 Aug 1997, Ernst-Udo Wallenborn wrote:
 > Anatoli Korkin writes:
 > >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?
 Perhaps
 J. M. L. Martin, V. Aviyente, and C. Lifshitz, ``The insertion of amines
 and alcohols into proton bound dimers. A density functional study'',
 Journal of Physical Chemistry A 101, 2597-2606 (1997)
 might interest you.
 JM
 ---------------------------------------------------------------------------
 dr. Jan M.L. Martin                Senior Lecturer, Computational Chemistry
        Department of Organic Chemistry/Kimmelman Building, Room 262
             Weizmann Institute of Science/Rechovot 76100/ISRAEL
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