From CAVALLO@CHEMNA.DICHI.UNINA.IT Mon Apr 29 09:49:43 1996 Received: from CHEMNA.DICHI.UNINA.IT for CAVALLO@CHEMNA.DICHI.UNINA.IT by www.ccl.net (8.7.1/950822.1) id JAA08927; Mon, 29 Apr 1996 09:23:30 -0400 (EDT) From: Received: from CHEMNA.DICHI.UNINA.IT by CHEMNA.DICHI.UNINA.IT (PMDF V5.0-6 #3559) id <01I449VICIC00003I1@CHEMNA.DICHI.UNINA.IT> for chemistry@www.ccl.net; Mon, 29 Apr 1996 15:23:31 +0100 (CET) Date: Mon, 29 Apr 1996 15:22:47 +0100 (CET) Subject: Halogens + Arenes To: chemistry@www.ccl.net Message-id: <01I44A2JY1FY0003I1@CHEMNA.DICHI.UNINA.IT> MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Dear Netters, I am looking for any reference regarding halogens and arenes complexes. both from an experimental and a theoretical point of view. Any help is appreciated. luigi -------------------------------------------------------------------------------- | Dr. Luigi Cavallo | | Department Of Chemistry Fax : ++39-81-5527771 | | University Of Naples Ph : ++39-81-5476535 | | Via Mezzocannone 4 Email : cavallo@chemna.dichi.unina.it | | I-80134 Naples, ITALY | -------------------------------------------------------------------------------- From Schiffer@MSMWIA.hoechst.hoechst-ag.d400.de Mon Apr 29 12:49:45 1996 Received: from ixgate02.dfnrelay.d400.de for Schiffer@MSMWIA.hoechst.hoechst-ag.d400.de by www.ccl.net (8.7.1/950822.1) id MAA10757; Mon, 29 Apr 1996 12:38:29 -0400 (EDT) X400-Received: by mta d400relay in /PRMD=dfnrelay/ADMD=d400/C=de/; Relayed; Mon, 29 Apr 1996 17:42:18 +0200 X400-Received: by /PRMD=HOECHST-AG/ADMD=D400/C=DE/; Relayed; Mon, 29 Apr 1996 17:41:47 +0200 X400-Received: by /PRMD=HOECHST-AG-MSM2/ADMD=DBP/C=DE/; Relayed; Mon, 29 Apr 1996 17:37:34 +0200 X400-Received: by /PRMD=HOECHST-AG-MSM/ADMD=DBP/C=DE/; Relayed; Sun, 28 Apr 1996 19:03:26 +0200 Date: Sun, 28 Apr 1996 19:03:26 +0200 X400-Originator: Schiffer@MSMWIA.hoechst.hoechst-ag.d400.de X400-Recipients: non-disclosure:; X400-MTS-Identifier: [/PRMD=HOECHST-AG/ADMD=D400/C=DE/;0009700003060390000002] X400-Content-Type: P2-1984 (2) Content-Identifier: CSI NC V3.0 From: "Schiffer, Heinz, Dr., WIA / SC" Message-ID: <00292565.MAI*/S=Schiffer/OU=MSMWIA/O=HOECHST/PRMD=hoechst-ag/ADMD=dbp/C=de/@MHS> To: CCL (Receipt Notification Requested) (Non Receipt Notification Requested) Cc: "Schiffer, Heinz, Dr., WIA / SC" (Receipt Notification Requested) (Non Receipt Notification Requested) Subject: Bond energy of R2NO-R MIME-version: 1.0 Content-type: multipart/mixed; boundary="T5ZijzM117bkyB1HEsfyjUawHEh1uQUv" --T5ZijzM117bkyB1HEsfyjUawHEh1uQUv Content-type: text/plain; charset="us-ascii" Hi all, I am looking for experimentally measured bond dissociation energies of the O-R bond in R2NO-R compounds with R=H or R=CH3. I want to study larger systems with this structural unit and therefore want to to find out the best ( price/performance ) ab initio ( ROHF, UHF, MP2 ) or density functional method ( LSDA and also non-local ones like B-VWN, B-LYP, B-P, B3-LYP ) for these systems. I will post a summary to the list. I wasn't able to find any useful references in our library, so I would be very grateful to anyone of the community, who can help me out. Heinz [[ ADDRESS.TXT : 3892 in ADDRESS.TXT ]] --T5ZijzM117bkyB1HEsfyjUawHEh1uQUv Content-type: text/plain; charset="us-ascii" ------------------------------------------------------- Dr. Heinz Schiffer 65926 Frankfurt am Main Hoechst AG Phone ++49-69-305-2330 Scientific Computing Fax ++49-69-305-81162 Email : schiffer@wia.hoechst-ag.d400.de schiffer@msmwia.hoechst.hoechst-ag.d400.de ------------------------------------------------------- --T5ZijzM117bkyB1HEsfyjUawHEh1uQUv-- From owner-chemistry@ccl.net Mon Apr 29 13:20:25 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.1/950822.1) id MAA10655; Mon, 29 Apr 1996 12:20:32 -0400 (EDT) Received: from che.udel.edu for kotelyan@che.udel.edu by bedrock.ccl.net (8.7.1/950822.1) id MAA28899; Mon, 29 Apr 1996 12:20:20 -0400 (EDT) Received: by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA32112; Mon, 29 Apr 1996 12:20:16 -0400 Date: Mon, 29 Apr 1996 12:18:11 +22305133 (EDT) From: Michael Kotelyanskii Subject: Summary on xmgr for Linux To: chemistry@ccl.net Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, Even though my original query was not related to Comp. Chem, There was an interest to see the summary on my query, so I decided to post. Here is a summary of responses I've got on my question about xmgr for Linux Original posting was: > Sorry for the trouble, > I understand, that this question may be not relevant for this list, but > As soon as LINUX software questions appear here, > > Does anybody know about a place where to get the source code (or recently > compiled LINUX version) of xmgr - very useful plotting and data analysis > tool for X. I have one, but I downloaded compiled version > but is not stable. It crashes giving Segmentation fault. Looks like > it has problems openning new windows sometimes. > > Please reply to me directly, I'll summarize if there will be any interest. > > Mike > > > Michael Kotelyanskii PhD > Department of Chemical Engineering > University of Delaware kotelyan@che.udel.edu > Newark DE 19716 > Thanks to everyone who took time to reply. Below is a summary of responses. In short: One can get the source from ftp.teleport.com [192.108.254.15], /pub/users/pturner/ and file there is: xmgr-3.01pl7.tar.gz but to compile it on Linux you need Motif I do not, so there is a Linux binary xmgr-3.01pl7.LINUX.bin.gz which works better and the old problem is not there any more. Thanks Mike >From wieland@btm2d1.mat.uni-bayreuth.de Ukn Apr 18 09:25:21 1996 Received: from btm2d1.mat.uni-bayreuth.de by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA68722; Thu, 18 Apr 1996 09:25:18 -0400 Received: by btm2d1.mat.uni-bayreuth.de (IBM OS/2 SENDMAIL VERSION 1.3.14/2.12um) id AA1529; Thu, 18 Apr 96 15:24:59 +0200 Message-Id: <9604181324.AA1529@btm2d1.mat.uni-bayreuth.de> Mime-Version: 1.0 Date: Thu, 18 Apr 96 15:22:25 +0200 From: wieland@btm2d1.mat.uni-bayreuth.de To: kotelyan@che.udel.edu Subject: Re: CCL:winemu X-Mailer: Ultimedia Mail/2 Lite, IBM T. J. Watson Research Center Content-Id: <1214_109_1_829855345> Content-Type: text/plain; charset="US-ASCII" Content-Transfer-Encoding: 7bit Status: RO X-Status: Dear Michael, Internet provides perfect search tools that avoid asking other people. A simple archie search for your problem yields: [D:\]archie -h archie.doc.ic.ac.uk xmgr Host ftp.vse.cz Location: /pub/386-unix/linux/freeware_for_motif DIRECTORY drwxrwxr-x 512 Jun 19 1995 xmgr Host pascal.zedat.fu-berlin.de Location: /unix/graphics DIRECTORY drwxr-xr-x 512 Oct 19 23:16 xmgr Host gwdu30.gwdg.de Location: /linux/cdroms/suse/cd3/usr/X11R6/bin FILE -rwxr-xr-x 2380804 Nov 12 1994 xmgr Location: /linux/cdroms/suse/cd3/var/adm/packages FILE -rw-r--r-- 4728 May 1 1995 xmgr Host fsuj01.rz.uni-jena.de Location: /pub/X11/contrib DIRECTORY drwxr-xr-x 512 Apr 26 1995 xmgr Host news.rrz.uni-koeln.de Location: /usenet/comp.archives/x11/plotting DIRECTORY drwxrwxr-x 2048 Apr 22 1993 xmgr Host ftp.forwiss.uni-passau.de Location: /archive/unix/graphic DIRECTORY drwxrwxr-x 512 Oct 21 1994 xmgr Location: /pub/unix/graphic DIRECTORY drwxrwxr-x 512 Oct 21 1994 xmgr Host rzbsdi01.uni-trier.de Location: /pub/unix/X11/R5/contrib/clients DIRECTORY drwxr-xr-x 512 Nov 6 13:25 xmgr Host wrzx02.rz.uni-wuerzburg.de Location: /pub/amiga/mpearls3/pearls/edu DIRECTORY dr-xr-xr-x 2048 Oct 11 11:37 xmgr Location: /pub/amiga/mpearls3/pearls/edu/xmgr FILE -r-xr-xr-x 1023708 Aug 10 1995 xmgr Location: /pub/amiga/mpearls3/setattributesdir/pearls/edu DIRECTORY dr-xr-xr-x 2048 Oct 13 22:31 xmgr Host ftp.msi.umn.edu Location: /pub/hughes DIRECTORY drwxr-xr-x 512 Jan 7 03:28 xmgr Host teseo.unipg.it Location: /pub/unix/graphics DIRECTORY drwxr-xr-x 4096 Jul 24 1994 xmgr Host ftp.dst.unipi.it Location: /pub/unix/graphics DIRECTORY drwxr-xr-x 1024 Feb 16 1995 xmgr Host bigblue.pvv.unit.no Location: /store/store/ernie DIRECTORY drwxr-xr-x 512 Feb 11 04:56 xmgr Location: /store/store/ernie/xmgr/ver-2.10/diffs DIRECTORY drwxr-xr-x 512 Aug 16 1994 xmgr Location: /store/store/ernie/xmgr/ver-2.10/doc DIRECTORY drwxr-xr-x 512 Aug 16 1994 xmgr Location: /store/store/ernie/xmgr/ver-2.10/examples DIRECTORY drwxr-xr-x 1536 Aug 16 1994 xmgr Location: /store/store/ernie/xmgr/ver-3.01/doc DIRECTORY drwxr-xr-x 512 Jan 15 1995 xmgr Location: /store/store/ernie/xmgr/ver-3.01/examples DIRECTORY drwxr-xr-x 1536 Jan 15 1995 xmgr And this is just the British archie server; other will certainly come up with more mirrors. Hope this helps - and hope you will not be blamed by the list coordinator. Best wishes, Thomas Thomas Wieland +---------------+ Dipl. Math. |+---- +----+| "Es irrt der Mensch, Lehrstuhl II f. Mathematik |\ \ | || solang er strebt. Universitaet Bayreuth | \ \ | || ... | \ \ | || Doch nur wer immer strebend 95440 Bayreuth | \ \\ || sich bemueht, den koennen Germany | \ \\ || wir erhoeren." Tel. +49 (921) 553386 | \ \\ || Goethe Fax +49 (921) 553385 | \-------|| +---------------+ **** Do you know MOLGEN? **** http://btm2xd.mat.uni-bayreuth.de/molgen **** >From ryszard@msi.com Ukn Apr 18 09:43:24 1996 Received: from schizoid.msi.com by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA32923; Thu, 18 Apr 1996 09:43:22 -0400 Received: from aga.msi.com by msi.com (4.1/SMI-4.1) id AA14292; Thu, 18 Apr 96 09:34:07 EDT Received: by aga.msi.com (5.65/DEC-OSF/1-29Feb92); id AA14747; Thu, 18 Apr 1996 09:43:29 -0400 Date: Thu, 18 Apr 1996 09:43:29 -0400 (EDT) From: Ryszard Czerminski To: Michael Kotelyanskii Subject: Re: CCL:winemu In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Status: RO X-Status: Please summarize.... Ryszard Czerminski Molecular Simulations Incorporated 16 New England Executive Park Burlington, MA 01803-5297 tel: (617)229-8875 x 217 fax: (617)229-9899 e-mail: ryszard@msi.com On Thu, 18 Apr 1996, Michael Kotelyanskii wrote: > Sorry for the trouble, > I understand, that this question may be not relevant for this list, but > As soon as LINUX software questions appear here, > > Does anybody know about a place where to get the source code (or recently > compiled LINUX version) of xmgr - very useful plotting and data analysis > tool for X. I have one, but I downloaded compiled version > but is not stable. It crashes giving Segmentation fault. Looks like > it has problems openning new windows sometimes. > > Please reply to me directly, I'll summarize if there will be any interest. > > Mike > > > Michael Kotelyanskii PhD > Department of Chemical Engineering > University of Delaware kotelyan@che.udel.edu > Newark DE 19716 > > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: kotelyan@che.udel.edu > -- Original Sender From: Address: kotelyan@che.udel.edu > 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 robert@tocsy.utmb.edu Ukn Apr 18 10:23:32 1996 Received: from tocsy.utmb.edu by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA05000; Thu, 18 Apr 1996 10:23:29 -0400 Received: by tocsy.utmb.edu (940816.SGI.8.6.9/930416.SGI.AUTO) id JAA03698; Thu, 18 Apr 1996 09:25:46 -0500 Date: Thu, 18 Apr 1996 09:25:42 +0059 (CDT) From: Robert Fraczkiewicz To: Michael Kotelyanskii In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Status: RO X-Status: On Thu, 18 Apr 1996, Michael Kotelyanskii wrote: > Does anybody know about a place where to get the source code (or recently > compiled LINUX version) of xmgr - very useful plotting and data analysis > tool for X. I have one, but I downloaded compiled version > but is not stable. It crashes giving Segmentation fault. Looks like > it has problems openning new windows sometimes. > The author of xmgr (aka ACE/gr) is Paul Turner from Oregon Graduate Institute; e-mail pturner@ese.ogi.edu. I guess you can use Netscape to locate the OGI and find the home page of Paul; perhaps he has an ftp link to the source code. Very useful list of American universities is at http://www.clas.ufl.edu/CLAS/american-universities.html Best regards, Robert Fraczkiewicz >From smolnar@postbox.acs.ohio-state.edu Ukn Apr 18 10:34:33 1996 Received: from mail0.uts.ohio-state.edu by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA28377; Thu, 18 Apr 1996 10:34:30 -0400 Received: from ts31-6.homenet.ohio-state.edu (ts31-6.homenet.ohio-state.edu [140.254.114.125]) by mail0.uts.ohio-state.edu (8.7.5/8.7.3) with SMTP id KAA04926 for ; Thu, 18 Apr 1996 10:34:25 -0400 (EDT) Date: Thu, 18 Apr 1996 10:34:25 -0400 (EDT) Message-Id: <2.2.16.19960418103350.507f71be@pop.service.ohio-state.edu> X-Sender: smolnar@pop.service.ohio-state.edu X-Mailer: Windows Eudora Pro Version 2.2 (16) Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" X-Priority: 1 (Highest) To: Michael Kotelyanskii From: "Stephen P. Molnar" Subject: Re: CCL:winemu Status: RO X-Status: At 07:40 AM 4/18/96 +22305133, you wrote: >Sorry for the trouble, >I understand, that this question may be not relevant for this list, but >As soon as LINUX software questions appear here, > >Does anybody know about a place where to get the source code (or recently >compiled LINUX version) of xmgr - very useful plotting and data analysis >tool for X. I have one, but I downloaded compiled version >but is not stable. It crashes giving Segmentation fault. Looks like >it has problems openning new windows sometimes. > Have you tried any of the Linux mirrors: ftp.cc.gatech.edu tsx-11.mit.edu sunsite.unc.edu >Please reply to me directly, I'll summarize if there will be any interest. > >Mike > > >Michael Kotelyanskii PhD >Department of Chemical Engineering >University of Delaware kotelyan@che.udel.edu >Newark DE 19716 > > >-------This is added Automatically by the Software-------- >-- Original Sender Envelope Address: kotelyan@che.udel.edu >-- Original Sender From: Address: kotelyan@che.udel.edu >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 > > > ______________________________________________________________________________ Stephen P. Molnar, Ph. D. Life is a fuzzy set Foundation for Chemistry multivariant and stochastic 614.486.4076 >From p.verwer@organon.akzonobel.nl Ukn Apr 18 11:40:30 1996 Received: from gatekeeper.oss.akzonobel.nl by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA66057; Thu, 18 Apr 1996 11:40:24 -0400 Received: (from mail@localhost) by gatekeeper.oss.akzonobel.nl (8.6.12/8.6.12) id RAA03212 for ; Thu, 18 Apr 1996 17:45:01 +0200 Received: from apou01.akzonobel.nl(145.49.90.59) by gatekeeper.oss.akzonobel.nl via smap (V1.3) id sma026938; Thu Apr 18 17:44:02 1996 Received: by apou01.akzonobel.nl (8.7.1/AKZONOBEL-WvdL/951013) id BAA00696; Thu, 18 Apr 1996 01:03:00 +0100 Received: (from verwer@localhost) by organon.akzonobel.nl (950511.SGI.8.6.12.PATCH526/8.6.12) id RAA25273 for kotelyan@che.udel.edu; Thu, 18 Apr 1996 17:38:08 +0100 From: Paul Verwer Message-Id: <199604181638.RAA25273@organon.akzonobel.nl> Subject: xmgr To: kotelyan@che.udel.edu Date: Thu, 18 Apr 1996 17:38:08 +0100 (WDT) Foo: Bar X-Mailer: ELM [version 2.4 PL24 ME8b] Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Status: RO X-Status: Hi, > Does anybody know about a place where to get the source code (or recently > compiled LINUX version) of xmgr try ftp.teleport.com [192.108.254.15], /pub/users/pturner/acegr(/bin). To compile it yourself, you will need Motif; the Linux binary is staically linked, I think. Paul. -- Dr. P. Verwer CMC group, RK2339 Phone: 0412-661468 N.V. Organon Fax: 0412-662539 P.O. Box 20 5340 BH OSS The Netherlands email: p.verwer@organon.akzonobel.nl =============================================================================== >From beroza@scripps.edu Ukn Apr 18 12:01:13 1996 Received: from riscsm.scripps.edu by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA52406; Thu, 18 Apr 1996 12:01:12 -0400 Received: from euler.scripps.edu by scripps.edu (5.61/1.34) id AA19175; Thu, 18 Apr 96 09:00:54 -0700 Received: by euler; (5.65/1.1.8.2/14Apr95-0558PM) id AA10109; Thu, 18 Apr 1996 08:59:55 -0700 Date: Thu, 18 Apr 1996 08:59:55 -0700 From: Paul Beroza Message-Id: <9604181559.AA10109@euler.scripps.edu> To: kotelyan@che.udel.edu Subject: Re: CCL:winemu Status: RO X-Status: > Does anybody know about a place where to get the source code (or recently > compiled LINUX version) of xmgr Source code is available via anonymous ftp to: ftp://ftp.teleport.com/pub/users/pturner/acegr/xmgr-3.01pl7.tar.gz Paul >From nervi@chpc06.ch.unito.it Ukn Apr 19 03:53:23 1996 Received: from chpc06.ch.unito.it by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA63535; Fri, 19 Apr 1996 03:53:08 -0400 Received: (from nervi@localhost) by chpc06.ch.unito.it (8.6.12/8.6.9) id JAA08164; Fri, 19 Apr 1996 09:59:16 +0200 Date: Fri, 19 Apr 1996 09:59:13 +0200 (MET DST) From: Carlo Nervi To: Michael Kotelyanskii Subject: Re: CCL:winemu In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Status: RO X-Status: On Thu, 18 Apr 1996, Michael Kotelyanskii wrote: > Does anybody know about a place where to get the source code (or recently > compiled LINUX version) of xmgr - very useful plotting and data analysis > tool for X. I have one, but I downloaded compiled version Source code should be available by: ftp://ftp.teleport.com/pub/users/pturner/acegr/xmgr-3.01p16.tar.gz Hope this help, Carlo (I'm going to add this link to my chem_linux WWW page...) ---------------------------------------------------------------------------- Dr. Carlo Nervi Dipartimento di Chimica I.F.M., via P. Giuria 7, 10125 Torino, ITALY phone: (Italy)-11-6707508 | e-mail: nervi@chpc06.ch.unito.it fax: (Italy)-11-6707855 | nervi@silver.ch.unito.it http://chpc06.ch.unito.it/ >From nervi@chpc06.ch.unito.it Ukn Apr 19 04:50:00 1996 Received: from chpc06.ch.unito.it by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA23533; Fri, 19 Apr 1996 04:49:40 -0400 Received: (from nervi@localhost) by chpc06.ch.unito.it (8.6.12/8.6.9) id KAA08289; Fri, 19 Apr 1996 10:54:21 +0200 Date: Fri, 19 Apr 1996 10:54:20 +0200 (MET DST) From: Carlo Nervi To: Michael Kotelyanskii Subject: Re: xmgr In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Status: RO X-Status: Sorry, perhaps my previous message was not 100% correct. The right link to xmgr (ACE/gr) is: ftp://ftp.teleport.com/pub/users/pturner/acegr/xmgr-3.01.tar.gz (which is a soft-link to xmgr-3.01pl7.tar.gz) In any cases you might have a look of Free Scientific Software for Linux at http://chpc06.ch.unito.it/linux/linux_prg.html, which is the official mirror of http://lusk1.mines.edu/hjjou/linux_prg.html (perhaps this latter site is better for you), where also xmgr link is included. Carlo ---------------------------------------------------------------------------- Dr. Carlo Nervi Dipartimento di Chimica I.F.M., via P. Giuria 7, 10125 Torino, ITALY phone: (Italy)-11-6707508 | e-mail: nervi@chpc06.ch.unito.it fax: (Italy)-11-6707855 | nervi@silver.ch.unito.it http://chpc06.ch.unito.it/ >From monty@python.mars.vein.hu Ukn Apr 19 11:41:10 1996 Received: from python.mars.vein.hu by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA09627; Fri, 19 Apr 1996 11:37:50 -0400 Received: (from monty@localhost) by python.mars.vein.hu (8.6.12/8.6.9) id QAA00434 for kotelyan@che.udel.edu; Fri, 19 Apr 1996 16:03:51 +0200 Content-Length: 922 Message-Id: X-Mailer: XFMail 0.3 [p0] on Linux Sender: monty@python.mars.vein.hu Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 8bit Mime-Version: 1.0 Reply-To: monty@python.mars.vein.hu Date: Fri, 19 Apr 1996 15:56:13 From: Kegl Tamas To: kotelyan@che.udel.edu Subject: Re: (Fwd) CCL:winemu Status: RO X-Status: Dear Mike, I'm afraid, it's not possible to find the source code for xmgr since xmgr is a Motif application statically linked with Motif libraries. Have you tried the newest one (patch level 7)? What sort of Linux do you use? The source of the problem could be that you use an elf distribution and your xmgr is linked with aout libs or the other way round. Best wishes, Tamas ############################################################################## Tamas Kegl | ** ** Ph.D. student | * * * University of Veszprem | * * <-- Linux Inside!!! Department of Organic Chemistry | * * ---------------------------------- | * * E-mail: kegl@almos.vein.hu | * monty@python.mars.vein.hu | ############################################################################## >From arne@assar.biokemi.su.se Ukn Apr 24 04:37:09 1996 Received: from assar.biokemi.su.se by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA65084; Wed, 24 Apr 1996 04:37:07 -0400 Received: by assar.biokemi.su.se id (Debian /\oo/\ Smail3.1.29.1 #29.33); Wed, 24 Apr 96 12:41 MET DST To: Michael Kotelyanskii Subject: Re: CCL:winemu References: From: Arne Elofsson Date: 24 Apr 1996 12:41:22 +0200 In-Reply-To: Michael Kotelyanskii's message of Thu, 18 Apr 1996 07:40:50 +22305133 (EDT) Message-Id: Lines: 19 X-Mailer: September Gnus v0.77/XEmacs 19.13 Status: RO X-Status: Hi. I do not know if you solved the problem or if this will help xmgr need motif which is normally ot distributed with linux, you can buy it separately from many sources. arne ----------------------------------------------------------------- ! The danger with alcohol is that you get happy from it, and he ! ! who is happy does not need to drink. That is why you have to ! ! drink enough so that you can not remember that you have been ! ! happy, so that you can start over the next day. ! ----------------------------------------------------------------- From: Arne Elofsson Email: arne@rune.biokemi.su.se Tel:+46(0)8-161553 WWW: http://www.biokemi.su.se/~arne/ >From gilson@indigo14.carb.nist.gov Ukn Apr 18 11:11:32 1996 Received: from indigo14.carb.nist.gov by che.udel.edu (AIX 3.2/UCB 5.64/4.03) id AA29594; Thu, 18 Apr 1996 11:11:23 -0400 Received: by indigo14.carb.nist.gov (931110.SGI/930416.SGI.AUTO) for kotelyan@che.udel.edu id AA15255; Thu, 18 Apr 96 11:10:26 -0400 Date: Thu, 18 Apr 96 11:10:26 -0400 From: gilson@indigo14.carb.nist.gov (Michael K. Gilson) Message-Id: <9604181510.AA15255@indigo14.carb.nist.gov> To: gilson@indigo14.carb.nist.gov, kotelyan@che.udel.edu Subject: xmgr and linux Status: RO X-Status: Dear Mike, I would be interested in any fix to xmgr that you learn about; thanks in advance, Mike Gilson Michael K. Gilson, M.D., Ph.D. gilson@indigo14.carb.nist.gov Michael Kotelyanskii PhD Department of Chemical Engineering University of Delaware kotelyan@che.udel.edu Newark DE 19716 From val@nmr1.ioc.ac.ru Mon Apr 29 13:49:45 1996 Received: from nmr1.ioc.ac.ru for val@nmr1.ioc.ac.ru by www.ccl.net (8.7.1/950822.1) id MAA10800; Mon, 29 Apr 1996 12:51:31 -0400 (EDT) Received: from [193.233.3.134] by nmr1.ioc.ac.ru with SMTP (WG7Jv1.07b+CWRU/BIOCv1.93) id AA16726 ; Mon, 29 Apr 96 20:50:04 MST Date: Mon, 29 Apr 96 20:50:03 +0300 From: "Valentin P. Ananikov" Message-Id: <84944.val@nmr1.ioc.ac.ru> X-Minuet-Version: Minuet1.0_Beta_17A Reply-To: X-POPMail-Charset: IBM 8-Bit To: chemistry@www.ccl.net Subject: Calculation 195Pt chemical shift Dear Netters, I am looking for successful examples of theoretical calculations of 195Pt chemical shifts, which are agree with NMR experiments. Does someone know (or has) a program to calculate the 'real' values of chemical shifts? Could you, please, recommend me some literature about this subject as a start point? with thanks, Valentin. ÉÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍ» ÚÄÄÄĺ Valentin P. Ananikov º ³ ÈÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍÍͼ ³ Physical Organic and ³ ³ Coal Chemistry Institute ³ ³ R. Luxembourg str.70 ³ ³ Donetsk, 340144 ³ Ú ³ Ukraine ³ÄÄÄÄÄÄ¿ ³ ÀÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÙ ³ ³ ³ ³ e-mail: val@nmr1.ioc.ac.ru ³ ÀÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÄÙ From grunberg@indy1.org-chem.nat.tu-bs.de Mon Apr 29 15:49:45 1996 Received: from indy1.org-chem.nat.tu-bs.de for grunberg@indy1.org-chem.nat.tu-bs.de by www.ccl.net (8.7.1/950822.1) id OAA12557; Mon, 29 Apr 1996 14:51:35 -0400 (EDT) Received: by indy1.org-chem.nat.tu-bs.de (940816.SGI.8.6.9/940406.SGI.AUTO) for chemistry@www.ccl.net id UAA10799; Mon, 29 Apr 1996 20:51:27 +0200 From: "Grunenberg Joerg" Message-Id: <9604292051.ZM10797@indy1.org-chem.nat.tu-bs.de> Date: Mon, 29 Apr 1996 20:51:19 -0600 In-Reply-To: "CCL:Halogens + Arenes" (Apr 29, 3:22pm) References: <01I44A2JY1FY0003I1@CHEMNA.DICHI.UNINA.IT> X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) To: chemistry@www.ccl.net Subject: Re: CCL:Halogens + Arenes Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Dear Netters, Luigi Cavallo wrote: > Subject: CCL:Halogens + Arenes > Dear Netters, > > I am looking for any reference regarding halogens and arenes complexes. > both from an experimental and a theoretical point of view. > > Any help is appreciated. > luigi Last year, there was an article (HIGHLIGHT) in "ANGEWANDTE CHEMIE" about Halogens + Aren comlexes concernig new experimental and theoretical aspects. The reference is: R. Herges Angew. Chem. Int. Ed. Engl. 1995, 34 ,51. Joerg Grunenberg -- ________________________________________________________________________________ Joerg Grunenberg Institut f. Organische Chemie Hagenring 30 38106 Braunschweig email: Joerg.Grunenberg@tu-bs.de phone: ++49 531-391-5266 fax: ++49 531-391-5388 ________________________________________________________________________________