From chemistry-request@www.ccl.net Thu Dec 31 11:16:33 1998 Received: from mallard.duc.auburn.edu (mallard2.duc.auburn.edu [131.204.2.23]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id LAA09635 Thu, 31 Dec 1998 11:16:33 -0500 (EST) Received: from localhost (kwonohy@localhost) by mallard.duc.auburn.edu (8.8.8+Sun/8.8.8) with SMTP id KAA10851; Thu, 31 Dec 1998 10:16:35 -0600 (CST) X-Authentication-Warning: mallard.duc.auburn.edu: kwonohy owned process doing -bs Date: Thu, 31 Dec 1998 10:16:35 -0600 (CST) From: Ohyun Kwon X-Sender: kwonohy@mallard2 To: Chemistry@www.ccl.net Subject: Re: CCL:G:Cerius2/Gaussview In-Reply-To: <199812310419.XAA07205@department-of-alchemy.mit.edu> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Dr. Xie; I recommend you to use Gaussview rather thn Cerius2 for G98 because I guess the price is cheaper for Gaussview than for Cerius2 visualizer. I don't know what you want from Gaussview or Cerius2, but there are some free softwares for visualization of G98 results such as molden and xmol. I think molden is pretty nice and you don't have to pay. You can download it form the following website(http://www.caos.kun.nl/~schaft/molden/molden.html) freely. Ohyun Kwon Auburn University Auburn, AL 36849 USA On Wed, 30 Dec 1998, Ning Xie wrote: > Hi,there, > Is there anybody ever compared Cerius2 with Gaussview? I've never had a chance > to try out Gaussview but I was told that it is "thumb down". However I am not > so amazed by Cerius2 either. It is kinda difficult for me to decide which to > buy in combination with Gaussian 98. > Thank you for your time and > HAPPY NEW YEAR! > -------------------------------------------------------------------------- > | Ning Xie, Post-doctoral Associate e-mail: ningxie@mit.edu | > | Chemical Engineering Department ning_xie@yahoo.com | > | Massachusetts Institute of Technology Fax: (617)253-6534 | > | 66-057, 77 Massachusetts Avenue Tel: (617)253-6535 (O) | > | Cambridge, MA 02139-4307, USA (781)245-7954 (H) | > -------------------------------------------------------------------------- > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: chemistry-request@www.ccl.net > -- Original Sender From: Address: ningxie@MIT.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 chemistry-request@www.ccl.net Thu Dec 31 15:21:13 1998 Received: from alchemy.chem.utoronto.ca (alchemy.chem.utoronto.ca [142.150.224.224]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id PAA11348 Thu, 31 Dec 1998 15:21:13 -0500 (EST) Received: (from elewars@localhost) by alchemy.chem.utoronto.ca (8.7.4/8.7.3) id PAA04481 for chemistry@www.ccl.net; Thu, 31 Dec 1998 15:21:13 -0500 (EST) Date: Thu, 31 Dec 1998 15:21:13 -0500 (EST) From: "E. Lewars" Message-Id: <199812312021.PAA04481@alchemy.chem.utoronto.ca> To: chemistry@www.ccl.net Subject: HEAT OF FORMATION VS> FREE ENERGY 1998 Dec 31, Thursday HEATS OF FORMATION AND FREE ENERGIES There are extensive tabulations (whole books) of heats of formation (enthalpies of formation), and many papers in the literature on ways of calculatig them. Semiempirical methods like AM1 and PM3 are designed to give useful heats of formation. And obviously differences in heats of formation provide an indication of the thermodynamic stability of a compound: deltaH(products) - deltaH(reactant) Question: What about free energies? Aren't these _more_ important, since it is deltaG, not just deltaH, that determines thermodynamic stability? Why doesn't free energt get as much attention in tables and papers as enthalpy? Thanks Happy new year E. Lewars ==================== From chemistry-request@www.ccl.net Sun Jan 3 18:42:23 1999 Received: from hugh.chem.uic.edu (HUGH.CHEM.UIC.EDU [131.193.195.93]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id SAA21948 Sun, 3 Jan 1999 18:42:23 -0500 (EST) Received: by hugh.chem.uic.edu (940816.SGI.8.6.9/940406.SGI.AUTO) id UAA17522; Sun, 3 Jan 1999 20:22:47 -0600 Date: Sun, 3 Jan 1999 20:22:38 +36000 From: Richard Wood To: David Livingstone cc: chemistry@www.ccl.net Subject: Re: CCL:G:Linux vs Windows 95 vs Windows NT In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Fri, 1 Jan 1999, David Livingstone wrote: > Stefan, > > > Dear Gergo, > > > > >--- "Windows was designed to keep the idiots away from Unix so we > > >could hack in peace. Let's not break that." - Tom Christiansen (Perl > > >Journal) > > > Do you think that this is funny? I dont think so. People try to > > discuss the pros and cons of two operating systems and i think it > > helps noone to insult those who like to use Windows or who just want > > to know if it is worth to try g98w. The question is not what you love > > or hate, or what you think about people who use one or the other, but > > which experiences you have made. I hope the others who discussed this > > subject seriously agree with me. > > Lighten up a bit ! Its only a signature line and they're often very funny. Well, this one ISN'T funny. The fact is that the quote insluts those of us that use Windows. > > > > > Merry Christmas to everyone, > > > > Thats better. If you take yourself too seriously you will end up with a > personality hernia. > > Happy new year, everyone. > > Dave. > ------------------------------------------------------------------ > D.J. Livingstone ChemQuest > Cheyney House, 19-21 Cheyney St., > Steeple Morden. Herts UK SG8 0LP > > Phone & Fax: +44 (0)1763 852569 > e-mail davel@chmqst.demon.co.uk http://www.chmqst.demon.co.uk > ------------------------------------------------------------------ > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: chemistry-request@www.ccl.net > -- Original Sender From: Address: davel@chmqst.demon.co.uk > 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 >