Subject: Re: CCL:Forcefield for carbonates

From: "Leslie Glasser" <[email-masked]>
Date: Wed, 17 Dec 1997 08:48:33 GMT + 2:00

Dear Alexandre and others:

> Does anyone know of a specific forcefield for the computation of 
> crystals or clusters of calcium carbonate?

See GA Jackson and GD Price, Mol. Sim., 9(1992),175

Also see KJ Roberts et al., J Chem Soc, Faraday Trans 91(1995), 4133-
8 and GB Telfer et al., Acta Cryst., A53 (1997) 415-420 for references 
to other ionic systems.  The Catlow group at Royal Institution, 
London, is most deeply involved in these developments.

Leslie ==============================================================
(Prof.) Leslie Glasser                     Dept. of Chemistry    
E-mail: [email-masked]      Univ. of Witwatersrand     
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