CCL:G: Question about zeolite adsoption
- From: "shaji chempath"
<shaji.chempath(~)gmail.com>
- Subject: CCL:G: Question about zeolite adsoption
- Date: Tue, 7 Nov 2006 10:10:01 -0700
You can have a look at the MuSiC code on our website. (http://zeolites.cqe.northwestern.edu/Music) 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.
Shaji
On 11/7/06, Jimmy Lawrence jlawrencea/slb.com <owner-chemistry++ccl.net> wrote:
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,
--------------------------------------
Jimmy
Lawrence
JAPAN
--------------------------------------
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