CCL:G: Question about zeolite adsoption

You can have a look at the MuSiC code on our website.  ( Its very good for studying adsorption and diffusion in zeolites and other microporous materials. However , MuSiC is an F90 suite of programs ideally suited for running on linux workstations. Also it is purely MM no QM.

On 11/7/06, Jimmy Lawrence jlawrencea/ <> wrote:
Sent to CCL by: Jimmy Lawrence [jlawrence^]
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.

Jimmy Lawrence

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