CCL:G: Question about zeolite adsoption

[Jimmy Lawrence <jlawrence]_[slb.com>]

 Sent to CCL by: Jimmy Lawrence [jlawrence^slb.com]
 Can anyone share their experiences on calculating gas molecules adsoption on
 zeolites using recent free/ commercial QM/MD softwares ? (such as
 Gaussian03, Materials Studio, Spartan, etc)
 I am interested in purchasing software that can give me qualitative
 interpretation of gas molecules diffusion inside the zeolite cage, can you
 share your experiences/recommendation ?
 Btw, personally QMD program looks very interesting, however I have no
 experiences on using it. It would be helpful if any of you can give advices
 about this, since being a Linux beginner, I prefer Windows system.
 Regards,
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 Jimmy Lawrence
 JAPAN
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