From owner-chemistry@ccl.net Tue Nov 7 16:32:01 2006 From: "shaji chempath shaji.chempath.(~).gmail.com" To: CCL Subject: CCL:G: Question about zeolite adsoption Message-Id: <-32956-061107131314-15136-eL5yND+Ze7YbeLvRdimXhA(~)server.ccl.net> X-Original-From: "shaji chempath" Content-Type: multipart/alternative; boundary="----=_Part_10425_25722339.1162919401550" Date: Tue, 7 Nov 2006 10:10:01 -0700 MIME-Version: 1.0 Sent to CCL by: "shaji chempath" [shaji.chempath],[gmail.com] ------=_Part_10425_25722339.1162919401550 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit Content-Disposition: inline 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 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 > --------------------------------------> > > > ------=_Part_10425_25722339.1162919401550 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline 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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