From toukie@zui.unizh.ch Fri Dec 29 06:43:35 1995 Received: from rzusuntk.unizh.ch for toukie@zui.unizh.ch by www.ccl.net (8.6.10/950822.1) id GAA07418; Fri, 29 Dec 1995 06:32:34 -0500 Received: by rzusuntk.unizh.ch (4.1/SMI-4.1.9) id AA19995; Fri, 29 Dec 95 12:32:31 +0100 X-Nupop-Charset: Swiss Date: Fri, 29 Dec 1995 13:33:08 +0100 (MET) From: "Hr Dr. S. Shapiro" Sender: toukie@zui.unizh.ch Reply-To: toukie@zui.unizh.ch Message-Id: <48788.toukie@zui.unizh.ch> To: chemistry@www.ccl.net Subject: Seeking published info .... Dear Colleagues; I am seeking references dealing _specifically_ with the assignment of absolute configurations of chiral alcohols/chiral -OH moieties using (i): chiroptical methodologies/exciton chirality method (ii): vibrational circular dichroism (iii): (ii) in combination with ab initio normal mode analysis If you can share any specific references (as opposed to general review articles, which I don't especially need) dealing with (i)-(iii) vis-a'-vis the assignment of absolute configurations of chiral alcohols, I would be grateful to hear from you as soon as possible. Wishing everyone a healthful and successful New Year, I remain Sincerely, (Dr.) S. Shapiro Institut fuer orale Mikrobiologie und allgemeine Immunologie Zentrum fuer Zahn-, Mund- und Kieferheilkunde der Universitaet Zuerich Plattenstrasse 11 Postfach CH-8028 Zuerich 7 Switzerland Internet: toukie@zui.unizh.ch FAX-nr: ( ... + 1) 261'56'83 From fgonzale@lauca.usach.cl Fri Dec 29 09:13:37 1995 Received: from ralun.usach.cl for fgonzale@lauca.usach.cl by www.ccl.net (8.6.10/950822.1) id JAA08704; Fri, 29 Dec 1995 09:10:32 -0500 Received: from lauca.usach.cl (lauca.usach.cl [158.170.64.28]) by ralun.usach.cl (8.6.11/8.6.9) with ESMTP id KAA23574 for ; Fri, 29 Dec 1995 10:11:02 -0600 Received: (from fgonzale@localhost) by lauca.usach.cl (8.6.12/8.6.12) id LAA24846 for chemistry@www.ccl.net; Fri, 29 Dec 1995 11:10:10 -0300 From: Fdo Danilo Gonzalez Nilo Message-Id: <199512291410.LAA24846@lauca.usach.cl> Subject: tranverse area section To: chemistry@www.ccl.net Date: Fri, 29 Dec 95 11:10:10 ADT Hi all! I need information about any program to calculate transversal area section for small molecules (alkanols, alkanes, etc.) I'll summarized the answer!!! thanks a lot Fernando Danilo Gonzalez N. Faculty of Chemistry and Biology Universidad de Santiago de Chile casilla 307, Santiago-2, Chile fono: 681 2575 E-mail : fgonzale@lauca.usach.cl fax : (562) 681 2108 From owner-chemistry@ccl.net Fri Dec 29 07:28:36 1995 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.6.10/950822.1) id HAA07541; Fri, 29 Dec 1995 07:22:41 -0500 Received: from romance.kaist.ac.kr for ccchai@romance.kaist.ac.kr by bedrock.ccl.net (8.7.1/950822.1) id HAA11629; Fri, 29 Dec 1995 07:22:35 -0500 (EST) Received: (from ccchai@localhost) by romance.kaist.ac.kr (8.6.12h2/8.6.9) id VAA13295 for chemistry@ccl.net; Fri, 29 Dec 1995 21:18:10 +0900 From: Chai Chong Chul Message-Id: <199512291218.VAA13295@romance.kaist.ac.kr> Subject: Pleeese!! plot software for Phase Diagram of 3-Components. To: chemistry@ccl.net Date: Fri, 29 Dec 1995 21:18:10 +0900 (KST) X-Mailer: ELM [version 2.4 PL21-h4] MIME-Version: 1.0 Content-Type: text/plain; charset=iso-2022-kr Content-Transfer-Encoding: 7bit To Netter!!! Happy New Year!! This is my first posting. But I am sorry for my asking the simple questions. I want to plot for Phase Diagram of 3-Components, because I should insert this plotting in my paper. This is very emergent problem. So, Pleeese!! I want to get plot-software or methods for Phase Diagram of 3-Components. Thanks a lots.... ____________________________________________________________________________ ___ ___ | | // A I S T Chong Chul Chai(e-mail:ccchai@romance.kaist.ac.kr) | |-// 1 9 9 5 Department of Chemistry and Center for Molecular Science. | |-\\ Korea Adv. Inst. of Sci. & Tech., Tel: 042-869-2853. | | \\ 373-1, Kusungdong, Yusungku, Taejon, 305-701 Korea. --- --- alcohol in ara,csqueen,kids bbs http://muse.kaist.ac.kr/~ccchai ============================================================================ From smori@utsc.s.u-tokyo.ac.jp Thu Dec 21 02:04:56 1995 Received: from utsc.s.u-tokyo.ac.jp for smori@utsc.s.u-tokyo.ac.jp by www.ccl.net (8.6.10/950822.1) id BAA28612; Thu, 21 Dec 1995 01:56:02 -0500 Received: from [133.11.6.112] (smori.chem.s.u-tokyo.ac.jp) by utsc.s.u-tokyo.ac.jp (5.67+1.6W/TISN-1.3/R2) id AA10397; Thu, 21 Dec 95 15:55:25 JST Message-Id: <9512210655.AA10397@utsc.s.u-tokyo.ac.jp> Date: Thu, 21 Dec 1995 16:00:18 +0900 To: chemistry@www.ccl.net From: smori@utsc.s.u-tokyo.ac.jp (Mori Seiji) X-Sender: smori@utsc.s.u-tokyo.ac.jp (Unverified) Subject: electron density difference Cc: smori@utsc.s.u-tokyo.ac.jp Mime-Version: 1.0 Content-Type: text/plain; charset=iso-2022-jp X-Mailer: Eudora-J(1.3.8.5-J13) Dear netters, I would like to search the programs of the calculating the electron density difference(density of whole system - sum of densities of two fragments) from the Gaussian series outputs or checkpoint file to write the Gaussian style output or checkpoint files, if one cannot calculate directly with the Gaussian program. I hope that it is the cost free. Would you tell me an information of the programs? Sincerely, Seiji Mori *************************************************** --Merry X'mas! -- Merry X'mas!--Merry X'mas!--Merry X'mas!- 　 ^ --------------------------------- ^ ^ | 　　森　聖治 ^ ^ ^ | 東京大学大学院理学系研究科 ^ \ ^\ ^ | 物理有機化学講座中村研究室 D1 ^ | ^ ^ & ^ | 電話番号：03-3812-2111　内線4369 ^ (^-^) ^ ^ \ ^ | FAX：　　03-3812-8099 | l | | email:smori@utsc.s.u-tokyo.ac.jp *************************************************** From VARNAI@ch.bme.hu Tue Dec 19 08:49:23 1995 Received: from ns.bme.hu for VARNAI@ch.bme.hu by www.ccl.net (8.6.10/950822.1) id IAA05248; Tue, 19 Dec 1995 08:48:42 -0500 Received: from ch.bme.hu (ch.bme.hu [152.66.64.1]) by ns.bme.hu (8.6.12/8.6.12) with SMTP id OAA14262 for ; Tue, 19 Dec 1995 14:48:36 +0100 Received: from CH/TEMPQ by ch.bme.hu (Mercury 1.12); Tue, 19 Dec 95 14:53:22 +1100 Received: from TEMPQ by CH (Mercury 1.12); Tue, 19 Dec 95 14:52:56 +1100 From: "Varnai Peter" To: chemistry@www.ccl.net Date: Tue, 19 Dec 1995 14:52:51 GMT+100 Subject: Summary of CAS questions X-Confirm-Reading-To: "Varnai Peter" X-pmrqc: 1 Priority: normal X-mailer: Pegasus Mail v3.22 Message-ID: <10D78807B85@ch.bme.hu> Dear CClers, A little lFrom owner-chemistry@ccl.net Tue Dec 19 09:49:24 1995 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.6.10/950822.1) id JAA05833; Tue, 19 Dec 1995 09:38:33 -0500 Received: from SANDCASTLE.COSC.BROCKU.CA for jmiller@SANDCASTLE.COSC.BROCKU.CA by bedrock.ccl.net (8.7.1/950822.1) id JAA11255; Tue, 19 Dec 1995 09:38:32 -0500 (EST) Received: from [139.57.81.109] by SANDCASTLE.COSC.BROCKU.CA via SMTP (950911.SGI.8.6.12.PATCH825/940406.SGI) for id JAA12154; Tue, 19 Dec 1995 09:38:28 -0500 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Tue, 19 Dec 1995 09:40:54 -0400 To: CHEMISTRY@ccl.net From: jmiller@SANDCASTLE.COSC.BROCKU.CA (Jack Martin Miller) Subject: Semi-empirical programs for teaching Can anyone recommend either free or low cost PC or Mac Semi-empirical programs suitable for use in an advanced Organic Chemistry class in fourrth year so that students can have their own copy of the program on their computer at home? Jack Martin Miller Professor of Chemistry Adjunct Professor of Computer Science Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (905) 688 5550, ext 3402 FAX (905) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca http://chemiris.labs.brocku.ca/staff/miller/miller.html From polowin@hyper.hyper.com Mon Dec 18 10:50:17 1995 Received: from www.hyper.com for polowin@hyper.hyper.com by www.ccl.net (8.6.10/950822.1) id KAA21795; Mon, 18 Dec 1995 10:35:54 -0500 Received: from hyper.hyper.com (hyper.hyper.com [204.50.97.9]) by www.hyper.com (8.6.12/8.6.12) with SMTP id KAA16587; Mon, 18 Dec 1995 10:47:50 -0500 Received: by hyper.hyper.com (920330.SGI/920502.SGI) for @www.hyper.com:qtmtulio@cc.fc.ul.pt id AA27792; Mon, 18 Dec 95 10:47:44 -0500 Date: Mon, 18 Dec 95 10:47:44 -0500 From: polowin@hyper.hyper.com (Joel Polowin) Message-Id: <9512181547.AA27792@hyper.hyper.com> To: Mario Tulio Rosado Subject: Re: CCL:G:gaussian and winn95 Cc: CHEMISTRY@www.ccl.net > From: Mario Tulio Rosado > Date: Mon, 18 Dec 1995 14:20:16 +0100 (LISBOA) > > I have been working with Gaussian 92 for Windows / DFT under Windows 3.1 > We now upgraded our system to Windows 95. Gaussian fails to run jobs > (aborting allways at link 101 (L101.EXE) ) and returns an error message > refering to OS error code 15. > > My question is: > > Is thhere a way to overcome this, or it is impossible to run Gaussian > under windows95? I do not know about Gaussian, but it appears that our own software will not run properly under Windows 95 unless the "Regional Settings" are set to "English (United States)". We do not know why; there is some problem involving a failure to recognise text strings that are sent through the Dynamic Data Exchange, or even just read from text files -- even though the software and the data files are not changed. You might try changing your settings to "English (United States)" to see if that helps. The problem appears to be quite specific. "English (Canadian)" does not let the software work; I do not know what Microsoft thinks is the difference between Canadian and U.S. English, and I am not sure that I want to know. "English (British)", "English (Irish)", "Spanish (Modern sort)", and the "Standard" versions of German, Dutch, and French also fail. It was at this point that I stopped looking. Joel ------------ Joel Polowin, Ph.D. Manager, Scientific Support Email to: polowin@hyper.com Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 Info requests to: info@hyper.com Support questions to: support@hyper.com Email group: Send "subscribe hyperchem" to hyperchem-request@hyper.com WWW: http://www.hyper.com/ From owner-chemistry@ccl.net Fri Dec 15 11:45:26 1995 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.6.10/950822.1) id LAA01852; Fri, 15 Dec 1995 11:44:04 -0500 Received: from ocserv.chemie.uni-hamburg.de for brock@chemie.uni-hamburg.de by bedrock.ccl.net (8.7.1/950822.1) id LAA08340; Fri, 15 Dec 1995 11:44:00 -0500 (EST) Received: by ocserv.chemie.uni-hamburg.de (AIX 3.2/UCB 5.64/4.60) id AA29794; Fri, 15 Dec 1995 17:40:47 +0100 From: brock@chemie.uni-hamburg.de (Mathias Brock) Message-Id: <9512151640.AA29794@ocserv.chemie.uni-hamburg.de> Subject: details of CIS in G9x To: chemistry@ccl.net Date: Fri, 15 Dec 1995 17:40:47 +0100 (NFT) Cc: brock@chemie.uni-hamburg.de (Mathias Brock) X-Mailer: ELM [version 2.4 PL23] Content-Type: text Dear netters, CIS excited states are combinations of several single excited Hartree-Fock configurations. Is this the same with the ground state or is the ground 100 precent HF-ground configuration (single reference)? Thanks to anyone, who knows ** exactly ** . Mathias Brock