From owner-chemistry@ccl.net Sun Apr 16 02:32:00 2006 From: "Charles McCallum mmccallum.:.pacific.edu" To: CCL Subject: CCL: Zeolite Y, Mordenite Unit Cell Structure File Message-Id: <-31522-060414232527-20906-AQDUuR9hH5kaAmUZ4I0wOA%server.ccl.net> X-Original-From: Charles McCallum Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Date: Fri, 14 Apr 2006 19:31:53 -0700 Mime-Version: 1.0 (Apple Message framework v749.3) Sent to CCL by: Charles McCallum [mmccallum(_)pacific.edu] Start here: http://www.ch.ic.ac.uk/vchemlib/course/zeolite/atlas.html Find your zeolite, for example MOR for mordenite. For me, I get a plugin missing notice. But if you view the source of the file, for example "MOR.html", you will find a reference to a file such as "mor_mol.html" THIS is the HTML file which has the PDB link. Open this in your browser (same base URL), and search for the string ".pdb", you will find a link to the PDB file: in this case "mor.pdb". When this file is substituted for the last one )"mor_mol.html", you should either get a "download" request, or see the .pdb file as text in your browser. IN this particular case, the full URL to this particular PDB file was: http://www.ch.ic.ac.uk/vchemlib/course/zeolite/atlas/mor.pdb Hope this helps! Mike On Apr 14, 2006, at 5:55 PM, Young Leh youngleh|,|gmail.com wrote: > Sent to CCL by: "Young Leh" [youngleh[*]gmail.com] > Dear CCLer, > > Does anybody could kindly provide the structure files for Zeolite > type Y and Mordenite? I am able to look them up through http:// > www.iza-structure.org/databases/ . However, I am not able to > download them. > > -- C. Michael McCallum http://www.pacific.edu/college/ chemistry/McCallum/cmccallum.html Associate Professor Department of Chemistry, UOP mmccallum .at. pacific .dot. edu (209) 946-2636 v / (209) 946-2607 fax From owner-chemistry@ccl.net Sun Apr 16 10:08:00 2006 From: "Armel Le Bail alb..cristal.org" To: CCL Subject: CCL: Zeolite Y, Mordenite Unit Cell Structure File Message-Id: <-31523-060416061556-27937-DIK9Ju75feG3wVPzXYiR7g.:.server.ccl.net> X-Original-From: "Armel Le Bail" Date: Sun, 16 Apr 2006 06:06:44 -0400 Sent to CCL by: "Armel Le Bail" [alb()cristal.org] > Does anybody could kindly provide the structure files for Zeolite > type Y and Mordenite? I am able to look them up through http:// > www.iza-structure.org/databases/ . However, I am not able to > download them. Try the Crystallography Open Database : http://www.crystallography.net/ Use mordenite as a keyword, obtain CIFs. Best wishes, A. Le Bail From owner-chemistry@ccl.net Sun Apr 16 11:06:00 2006 From: "lanjh03[A]sohu.com" To: CCL Subject: CCL: ask for help Message-Id: <-31524-060416005551-1870-oFUubBI8b8HYIDholY4Ciw###server.ccl.net> X-Original-From: Content-Type: multipart/related; boundary="----=_Part_815_10748537.1145159705765" Date: Sun, 16 Apr 2006 11:55:05 +0800 (CST) Mime-Version: 1.0 Sent to CCL by: [lanjh03:_:sohu.com] ------=_Part_815_10748537.1145159705765 Content-Type: multipart/alternative; boundary="----=_Part_814_26246046.1145159705764" ------=_Part_814_26246046.1145159705764 Content-Type: text/plain; charset="GB2312" Content-Transfer-Encoding: 8bit Dear Friends,

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------=_Part_814_26246046.1145159705764-- ------=_Part_815_10748537.1145159705765-- From owner-chemistry@ccl.net Sun Apr 16 11:41:01 2006 From: "Jianhui Lan lanjh03===sohu.com" To: CCL Subject: CCL: about crystal Message-Id: <-31525-060416045838-21620-MTxAZt+X4LwM6c4pQFPJpA^^server.ccl.net> X-Original-From: "Jianhui Lan" Date: Sun, 16 Apr 2006 04:58:34 -0400 Sent to CCL by: "Jianhui Lan" [lanjh03[*]sohu.com] Dear CCLers, Recently many papers about adsorption on single metal surface have been published.And in these works, the authers usually choose a unit cell such (2*2) or (2*1)unit cell.What does these expressions mean? Thanks Best wishes to you! From owner-chemistry@ccl.net Sun Apr 16 12:16:01 2006 From: "Jianhui Lan lanjh03%x%sohu.com" To: CCL Subject: CCL: How to set charge for big metal clusters Message-Id: <-31526-060416050123-21782-d+ZdTwaTG3lMTXB8NZdTZg,+,server.ccl.net> X-Original-From: "Jianhui Lan" Date: Sun, 16 Apr 2006 05:01:23 -0400 Sent to CCL by: "Jianhui Lan" [lanjh03[A]sohu.com] Dear Friends, I am confronted with an important problem now! Presently I am studying the adsorption of small molecules on noble metal surface represented with big clusters. But I don't know how to determine the charge quantity taken by each atom of the noble-metal clusters. Please give me some help! I have been confused by this problem for a long time!! Thanks Best wishes to you! From owner-chemistry@ccl.net Sun Apr 16 23:20:00 2006 From: "Osman Guner oguner---turquoisecons.com" To: CCL Subject: CCL: CINF Scholarship for Scientific Excellence Sponsored by FIZ Chemie Ber Message-Id: <-31527-060416230700-9145-35fPAQyuEpBo8i2akzbSsg]^[server.ccl.net> X-Original-From: "Osman Guner" Date: Sun, 16 Apr 2006 23:07:00 -0400 Sent to CCL by: "Osman Guner" [oguner+/-turquoisecons.com] The scholarship program of the Division of Chemical Information (CINF) of the American Chemical Society (ACS) funded by FIZ CHemie Berlin is designed to reward graduate and postdoctoral students in chemical information and related sciences for scientific excellence and to foster their involvement in CINF. Three scholarships valued at 1,000 each will be given out at the 232nd ACS National Meeting In San Francisco, September 10 14, 2006. Applicants have to be enrolled at a certified college or university. They have to present a poster during the Sci-Mix session at the National Meeting. Abstracts for the poster have to be submitted electronically through OASYS before May 5, 2006. Please, go to http://oasys.acs.org/acs/232nm/cinf/papers/index.cgi and click on poster (at the bottom of the page). To enter your abstract, just follow the instructions. Additionally, a 2,000-word long abstract describing the work to be presented has to be sent in electronic form to the Chair of the selection committee, Guenter Grethe at ggrethe[*]comcast.net, byJune 15, 2006. Any questions related to applying for one of the scholarships should be directed to the same e-mail address. Winners will be chosen based on contents, presentation and relevance of the poster and they will be announced at the meeting. The contents shall reflect upon the students work and describe research in the field of cheminformatics and related sciences. Winning posters will be marked Winner of the CINF-FIZ Chemie Berlin Academic Scientific Excellence at the poster session. Dr. Guenter Grethe 352 Channing Way Alameda, CA 94502-7409 Tel/Fax: 510-865-5152 Mobile: 510-333-7526 e-mail: ggrethe[*]comcast.net