modelling of inorganic crystals
- From: Michael Brunsteiner <m.brunsteiner ^at^
ucl.ac.uk>
- Organization: University College London
- Subject: modelling of inorganic crystals
- Date: Fri, 09 Feb 2001 12:20:09 +0000
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
===================================================
Debug is human, de-fix divine.
---------------------------------------------------
Michael Brunsteiner
Centre for Theoretical and Computational Chemistry
University College London
mailto:m.brunsteiner ^at^ ucl.ac.uk,
http://www.ucl.ac.uk/~uccambr/
---------------------------------------------------