From owner-chemistry # - at - # ccl.net Fri Jun 15 15:36:00 2007
From: "rasesh78^^WPI.EDU" <owner-chemistry a server.ccl.net>
To: CCL
Subject: CCL: diffusion in zeolite
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Date: Thu, 14 Jun 2007 22:48:14 -0400 (EDT)
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Sent to CCL by: rasesh78^^^WPI.EDU

It would be interesting to look at  Towhee , especially  the 
electrostatic interactions are important to you ...Here is the link.....
http://towhee.sourceforge.net/
Thanks,
Rasesh


> Bonjour,
>
> We are looking for a FREE program in MM or QM/MM to study:
> - the diffusion of organic molecules in zeolites (FAU X or Y: Si, O, Al,
> Na or Cs, H)
> - the desorption of organic molecules from zeolite to water or organic
> solvant such as n-heptane (interface solid/liquid).
>
> Music http://zeolites.cqe.northwestern.edu/Music seems appropriate.
>
> What else ? References ?
>
> Bonne journée
>
> Gilles Frapper
> groupe chimie quantique appliquée
> UMR CNRS 6503 - LACCO - Université de Poitiers
> 40, av. recteur Pineau 86022 Poitiers cedex
> tel : 05 49 45 35 74 - mel : gilles.frapper(~)univ-poitiers.fr
> site : http://labo.univ-poitiers.fr/yargla
>
>