From chemistry-request@ccl.net Wed Apr 22 00:40:39 1992 Date: Wed, 22 Apr 92 02:20:13 GMT From: madura@hobbes.chem.uh.EDU (Jeffry Madura) Subject: Software for review To: srheller@asrr.arsusda.GOV Status: R Dear Dr. Heller, I would be interested in reviewing software for your journal. I am a computational chemist teaching and carrying out research at an undergraduate institution. I have access to 386 PC computers as well as two IBM RISC 6000 graphics workstations. I have used older versions of Derive and Alchemy II. I also have in the lab Mathematica, Polygen/Molecular Simulations molecular modelling software. Also I have SPARTAN and GAMESS both of which are ab initio programs. Thank-you for considering me as a potential reviewer. From chemistry-request@ccl.net Wed Apr 22 01:27:53 1992 Date: Tue, 21 Apr 1992 19:41:52 -0700 (PDT) From: DUCHOW@UCRAC1.UCR.EDU (John K. Duchowski) Subject: Re: ISBN request To: chemistry@ccl.net Status: R > Could someone please send me the ISBN and publisher of "Ab Initio > Molecular Orbital Theory" by Hehre, Radom, Schleyer, and Pople? The book you refer to is: Ab Initio Molecular Orbital Theory by Warren J. Hehre, Leo Radom, Paul v.R. Schleyer and John A. Pople John Wiley & Sons, New York 1986 ISBN 0-471-81241-2 and (possibly) may be found under the call number of QD461.A185 in your university library. Hope this helps. Regards, John Duchowski --------------------------------------------------------------------------- | OFFICE: | PHONE: (818) 968-4799 | | Pall Corporation | FAX: (818) 968-9415 | | SLS West Coast | BITNET: morro@DRYCAS | | 330 Turnbull Canyon Road | INTERNET: morro@drycas.club.cc.cmu.edu | | City of Industry, CA 91745 | | --------------------------------------------------------------------------- From rmb@igc.ethz.ch Wed Apr 22 02:30:41 1992 To: gromos@igc.ethz.ch Subject: WHATIF - Forwarding a message from L. Walsh Date: Wed, 22 Apr 92 08:26:11 +0200 From: rmb@igc.ethz.ch Status: R ------------------------------ Start of forwarded message 1 Date: Sat, 18 Apr 92 08:49:09 -0500 From: lwalsh@nemo.life.uiuc.edu (Laura L. Walsh) To: gromos@igc.ethz.ch Subject: WHATIF To: "STEPHEN R. HELLER" Subject: Re: Software for review Date: Wed, 22 Apr 92 00:28:50 -0400 From: dunbrack@tammy.harvard.edu Status: R Oops, forgot the phone number and address (for Alchemy III): Roland Dunbrack Department of Biochemistry and Molecular Biology Harvard University 7 Divinity Ave Cambridge MA 02138 Let me know if I can be of help in writing the review. Thanks, Roland Dunbrack ------------------------ dunbrack@tammy.harvard.edu From chemistry-request@ccl.net Wed Apr 22 04:47:09 1992 Date: Tue, 21 Apr 92 22:32:57 PDT From: burger@violet.berkeley.edu To: chemistry@ccl.net, culmer@stardent.chem.UTOLEDO.edu Subject: Re: ISBN request Status: R Hi, Here is the ISBN number for the required book is: ISBN 0-471-81241-2 The publisher is: John Wiley & Sons, Wiley Interscience Peter P.S. I couldn't edit this file therefore the errors. Peter Burger postdoctoral fellow Dep. of Chemistry the Robert Bergman group UC Berkeley From chemistry-request@ccl.net Wed Apr 22 15:00:18 1992 Date: Wed, 22 Apr 1992 10:20 EST From: HUDGENS@ENH.NIST.GOV Subject: Need info on GaCl excited states. To: chemistry@ccl.net Status: RO Computational Chemistry Subscriber: We are preparing a manuscript which reports new spectroscopy of the gallium monochloride (GaCl) molecule. Using REMPI spectroscopy, we have observed 15 electronic states between 29500 and 79700 cm-1. That's the good news... The bad news is that we do not have the basis that will support detailed assignments for these new electronic states. No molecular orbital calculations are published. If you are aware of any unpublished calculations that would help us, please let us know. Thanks, Jeff Hudgens Hudgens@enh.nist.gov From chemistry-request@ccl.net Wed Apr 22 16:27:09 1992 Date: Wed, 22 Apr 92 17:53 GMT From: RWOODS@VAX.MOLECULAR-BIOPHYSICS.OXFORD.AC.UK To: CHEMISTRY Subject: Tektronics Emulators for Windows Status: RO I am looking for a Tektronics 4200 series terminal emulator that will run under Microsoft Windows. Alternatively, although much less desirably, an equivalent emulator that runs in DOS. If anyone has any experience with such a program I would welcome their comments. Robert J. Woods Glycobiology Institute Department of Biochemistry University of Oxford Oxford OX1 3QU FAX:011-44-865-275216 From chemistry-request@ccl.net Wed Apr 22 21:08:58 1992 To: chemistry@ccl.net Subject: Ab Initio Molecular Orbital Theory Date: Wed, 22 Apr 92 14:06:35 -0700 From: Lyle Wiedeman Status: RO >> Not to make this a commerical war, but you can also get the book from >> Wavefunction, Inc. in Irvine California. By the way, are there any >> Spartan users out there who would like to compare notes? Wavefunction, Inc., can be reached at (714) 955-2120. Lyle Wiedeman Office of Academic Computing wiedeman@uci.edu Univ. Calif. Irvine wiedeman@UCI.BITNET Irvine, CA 92717 (714) 856-8718 FAX (714) 725-2069