CCL: diffusion in zeolite

From: rasesh78:WPI.EDU
Subject: CCL: diffusion in zeolite
Date: Thu, 14 Jun 2007 22:48:14 -0400 (EDT)

 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
 >
 >