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Date: Fri, 09 Feb 2001 12:20:09 +0000
From: Michael Brunsteiner <m.brunsteiner ^%at%^ ucl.ac.uk>
Organization: University College London
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CC: CHEMISTRY "-at-" ccl.net
Subject: modelling of inorganic crystals
References: <3A821423.E167AFF4 /at\mpi-muelheim.mpg.de>
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dear all,

i am looking for references for:

- model potentials and forcefield parameters for 
  (classical) modelling of inorganic salts
- (possibly review) articles about the derivation
  and the theoretical background of such forcefields
- ways to get (transferable??) parameters via theoretical 
  calculations rather than empirical fitting

thank you in advance for any hints!
cheers 
Michael



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Debug is human, de-fix divine.

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Michael Brunsteiner
Centre for Theoretical and Computational Chemistry
University College London
mailto:m.brunsteiner: at :ucl.ac.uk, 
http://www.ucl.ac.uk/~uccambr/
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