From chemistry-request@server.ccl.net Fri Dec 11 05:12:06 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA07415 for ; Fri, 11 Dec 1998 05:12:05 -0500 Received: from pigeon.vut.edu.au (pigeon.vut.edu.AU [140.159.30.12]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id FAA01300 Fri, 11 Dec 1998 05:06:07 -0500 (EST) From: hazad@cougar.vut.edu.au Received: from cougar.vut.edu.au (root@[140.159.65.2]) by pigeon.vut.edu.au (8.9.1a/8.9.1) with ESMTP id VAA19279 for ; Fri, 11 Dec 1998 21:11:12 +1100 (EST) Received: from Adnan.vut.edu.au ([140.159.75.221]) by cougar.vut.edu.au (8.9.1/8.9.1) with SMTP id VAA00840 for ; Fri, 11 Dec 1998 21:03:13 +1100 (EST) Message-Id: <3.0.1.32.19981211212051.0072e7cc@cougar.vut.edu.au> X-Sender: hazad@cougar.vut.edu.au X-Mailer: Windows Eudora Light Version 3.0.1 (32) Date: Fri, 11 Dec 1998 21:20:51 +1100 To: chemistry@www.ccl.net Subject: pKa values for amines Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Dear all, I've been looking for either experimental or theoretical/calculated pKa values for mono and bidentate amines at different temperatures. So far I've been unable to gather any substantial information. I'd be greatful for any pointers I'd also be interested in a free reliable s/w either for windows or unix-linux platform for determining pKa values. Kind Regards Adnan Hazar Victoria University AUSTRALIA From chemistry-request@server.ccl.net Fri Dec 11 09:13:52 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id JAA07472 for ; Fri, 11 Dec 1998 09:13:52 -0500 Received: from BODKIN.NUIGALWAY.IE (bodkin.nuigalway.ie [140.203.7.16]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id JAA02610 Fri, 11 Dec 1998 09:07:54 -0500 (EST) Received: from simmie.ucg.ie (compress.nuigalway.ie) by bodkin.nuigalway.ie (PMDF V5.1-10 #23794) with SMTP id <01J57PRMTO0G001JXO@bodkin.nuigalway.ie> for CHEMISTRY@www.ccl.net; Fri, 11 Dec 1998 14:01:10 GMT Date: Fri, 11 Dec 1998 13:59:59 +0000 From: "John M. Simmie" Subject: Graphical front-end for Gaussian98 for Windows X-Sender: 0001877s@bodkin.nuigalway.ie To: CHEMISTRY@www.ccl.net Message-id: <3.0.6.32.19981211135959.00aab490@bodkin.nuigalway.ie> MIME-version: 1.0 X-Mailer: QUALCOMM Windows Eudora Light Version 3.0.6 (32) Content-type: text/plain; charset="us-ascii" Gaussian98 for Windows seems attractively priced for teaching classes of 30 or so students at a time with a site license at $3,000. However it has an intimidating frontend (vis a vis Hyperchem for example) Can anyone suggest a low-cost sketching, editing, visualising interface into G98W? Thanks, J Dr. John M. Simmie::Chemistry Department The National University of Ireland Galway::Ireland Phone: +353-91-750388 Fax: +353-91-525700 mailto:John.Simmie@NUIGalway.IE http://WWW.NUIGalway/chem/combust.htm -------------------------------------------------------------------------- From chemistry-request@server.ccl.net Fri Dec 11 09:37:31 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id JAA07517 for ; Fri, 11 Dec 1998 09:37:31 -0500 Received: from seas.marine.usf.edu (seas.marine.usf.edu [198.116.54.30]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id JAA02819 Fri, 11 Dec 1998 09:31:33 -0500 (EST) Received: from luo.marine.usf.edu (luo.marine.usf.edu [198.116.54.87]) by seas.marine.usf.edu (8.9.1a/8.9.1) with SMTP id JAA00563; Fri, 11 Dec 1998 09:30:47 -0500 (EST) Message-ID: <001501be2513$187cf000$573674c6@marine.usf.edu> From: "Yu-Ran Luo" To: Cc: Subject: Re: CCL:Hydrogenolysis of S-S bond Date: Fri, 11 Dec 1998 09:32:28 -0500 X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.0810.800 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.0810.800 Hi, Sir, Please inform me if your have some problems regarding the bond dissociation energies of S-S and organic compounds. I have developed a powerful method about the topic. Yu-Ran Luo, Ph. D. Marine Science, University of South Florida http://molenergetics.simplenet.com ============ ----- Original Message ----- From: To: Non Receipt Notification Requested Cc: Non Receipt Notification Requested Sent: Wednesday, December 09, 1998 2:04 AM Subject: CCL:Hydrogenolysis of S-S bond > > > >Dear Members, > >I am looking for theoretical studies on hydrogenolysis of S-S bonds >of sulfides. Does anybody know some references ?. >Thanks a lot. > >François Hutschka >TOTAL RAFFINAGE DISTRIBUTION >CERT >BP 27 >76700 HARFLEUR >Tél:(33).2.35.55.13.53 >Fax:(33).2.35.55.12.99 >Email: francois.hutschka@total.com > > >--- >Administrivia: This message is automatically appended by the mail exploder: >CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator >MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 >Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html >--- > > From chemistry-request@server.ccl.net Fri Dec 11 20:09:12 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id UAA07924 for ; Fri, 11 Dec 1998 20:09:12 -0500 Received: from sable.nus.edu.sg (sable.nus.edu.sg [137.132.1.21]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id UAA13228 Fri, 11 Dec 1998 20:03:08 -0500 (EST) Received: from leonis.nus.edu.sg (leonis.nus.edu.sg [137.132.1.18]) by sable.nus.edu.sg (8.8.8/8.6.9) with ESMTP id JAA06829 for ; Sat, 12 Dec 1998 09:03:06 +0800 (SST) Received: from xiafen.cnpr.nus.edu.sg (xiafen.cnpr.nus.edu.sg [137.132.40.88]) by leonis.nus.edu.sg (8.8.8/8.6.9/CNS-3.5) with SMTP id JAA25569 for ; Sat, 12 Dec 1998 09:03:06 +0800 (SST) Message-ID: <002901be256c$00225be0$58288489@xiafen.cnpr.nus.edu.sg> From: "Xiafen" To: Subject: Sub-structure search Date: Sat, 12 Dec 1998 09:08:59 +0800 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 4.72.2106.4 X-MimeOLE: Produced By Microsoft MimeOLE V4.72.2106.4 Dear Sir/Madam: I am a Research Engineer of Bioinformatics Center, National University of Singapore. I am doing a software application for our chemical database,the sub-structure search is a part of the application. May I know who could provide a free or low cost software package to perform the structure or sub-structure search? Best regards! Cao Xiafen Bioinformatics Center National University of Singapore Tel: ++65 - 8719717