From SERGEI@ps1515.chemie.uni-marburg.de Mon Jun 3 04:51:25 1996 Received: from Mailer.Uni-Marburg.DE for SERGEI@ps1515.chemie.uni-marburg.de by www.ccl.net (8.7.5/950822.1) id EAA02005; Mon, 3 Jun 1996 04:49:34 -0400 (EDT) Received: from ps1515.Chemie.Uni-Marburg.DE by Mailer.Uni-Marburg.DE (AIX 3.2/UCB 5.64/20.07.94) id AA67711; Mon, 3 Jun 1996 10:49:07 +0200 Received: from NWS_CHEMIE/MAILQ by ps1515.chemie.uni-marburg.de (Mercury 1.20); 3 Jun 96 10:53:23 GMT+2 Received: from MAILQ by NWS_CHEMIE (Mercury 1.20); 3 Jun 96 10:53:08 GMT+2 From: "Sergei Vyboishchikov" To: chemistry@www.ccl.net Date: Mon, 3 Jun 1996 10:53:03 MDT Subject: Szabo & Ostlund's book Return-Receipt-To: "Sergei Vyboishchikov" Priority: normal X-Mailer: Pegasus Mail v3.22 Message-Id: <19EEEF755D5C@ps1515.chemie.uni-marburg.de> Dear CCLers: On August 11, 1995 Neil S. Ostlund wrote about the book "Modern Quantum Chemistry, Introduction to Advanced Electronic Structure Theory" by Attila Szabo and Neil S. Ostlund: "Our book is indeed out of print and I have no idea where one could get copies. The good news is that it will be reprinted as a Dover paperback which will make it less expensive for students and keep it around for a while. The Dover edition is due next spring or summer." Has the book meanwhile been published by Dover? If yes, how can one purchase a copy? Thank you in advance. Sergei Vyboishchikov FB Chemie der Philipps-Universitaet Marburg H.-Meerwein-Str. D-35032 Marburg, Germany E-Mail: sergei@ps1515.chemie.uni-marburg.de From s196232@ccs.sogang.ac.kr Mon Jun 3 06:51:25 1996 Received: from ccs.sogang.ac.kr for s196232@ccs.sogang.ac.kr by www.ccl.net (8.7.5/950822.1) id FAA02224; Mon, 3 Jun 1996 05:55:16 -0400 (EDT) Received: from localhost by ccs.sogang.ac.kr (8.7.5/Sogang) id SAA16320; Mon, 3 Jun 1996 18:51:59 +0900 (KST) Date: Mon, 3 Jun 1996 18:51:58 +0900 (KST) From: Lee Tae Bum X-Sender: s196232@ccs To: chemistry@www.ccl.net Subject: DFT in Gaussian & Biosym Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear, Thank you for CCLer's kindness. I would like to get any information of DFT. I know that two software (Biosym & Gaussain94) can do DFT calculation. Which software is more effective and economical in solvent effect calc.? What is characteristic of each software? etc... In expectation of your answer... Truly yours, From jkl@ccl.net Mon Jun 3 09:51:28 1996 Received: from bedrock.ccl.net for jkl@ccl.net by www.ccl.net (8.7.5/950822.1) id JAA03217; Mon, 3 Jun 1996 09:47:14 -0400 (EDT) Received: from krakow.ccl.net for jkl@ccl.net by bedrock.ccl.net (8.7.5/950822.1) id JAA13463; Mon, 3 Jun 1996 09:47:12 -0400 (EDT) From: Jan Labanowski Received: for jkl@ccl.net by krakow.ccl.net (8.6.10/920428.1525) id JAA05806; Mon, 3 Jun 1996 09:47:11 -0400 Date: Mon, 3 Jun 1996 09:47:11 -0400 Message-Id: <199606031347.JAA05806@krakow.ccl.net> To: chemistry@www.ccl.net Subject: CCL ftp is temporarily broken Cc: jkl@ccl.net Dear CCL, The ftp does not work correctly on the machine which has CCL archives. This happened when our sysadms upgraded Solaris to a new version. It is broken in a funny way. You can retrieve the file as: ftp www.ccl.net .... cd directory e.g., cd /pub/chemistry/archived-messages/96/05 get file e.g., get 11 but it will refuse the file if you want to retrieve as get directory/file e.g. get /pub/chemistry/archived-messages/96/05/11 and, hence, all URLs with ftp:// do not work. Bear with us... The system people are supposed to fix this. in the meantime, try to use ftp "manually" with cd directory first, or use gopher URLs since in most cases: ftp://www.ccl.net/pub/chemistry/some_file is equivalent to: gopher://www.ccl.net:73/00/some_file e.g.: ftp://www.ccl.net/pub/chemistry/archived-messages/96/05/11 is more or less equivalent to: gopher://www.ccl.net:73/00/archived-messages/96/05/11 Jan Labanowski jkl@ccl.net From owner-chemistry@ccl.net Mon Jun 3 10:51:27 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id KAA03398; Mon, 3 Jun 1996 10:26:36 -0400 (EDT) Received: from kodakr.kodak.com for lrbu00@xd88.kodak.com by bedrock.ccl.net (8.7.5/950822.1) id KAA14445; Mon, 3 Jun 1996 10:26:35 -0400 (EDT) From: Received: from euler.kodak.com by kodakr.kodak.com with SMTP id AA09609 (5.67b/IDA-1.5 for <@kodakr.kodak.com:chemistry@ccl.net>); Mon, 3 Jun 1996 10:23:45 -0400 Received: from xd88.kodak.com by euler.kodak.com via SMTP (940816.SGI.8.6.9/940406.SGI) id KAA24959; Mon, 3 Jun 1996 10:25:30 -0400 Received: by xd88.kodak.com (AIX 3.2/UCB 5.64/4.03) id AA12961; Mon, 3 Jun 1996 10:25:30 -0400 Date: Mon, 3 Jun 1996 10:25:30 -0400 Message-Id: <9606031025.ZM18079@xd88.kodak.com> X-Mailer: Z-Mail (3.0.0 15dec93) To: chemistry@ccl.net Subject: Compiling G94 on SGI R8000/IRIX 6.1 Cc: mckelvey@kodakr.kodak.com Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 CClers: What G94 rev-level is required for error free compiles and builds for G94 on an SGI-R8000 using IRIX 6.1 ? HELP! Thanks, John -- John M. McKelvey email: mckelvey@Kodak.COM Computational Science Laboratory phone: (716) 477-3335 2nd Floor, Bldg 83, RL Eastman Kodak Company Rochester, NY 14650-2216 -- From owner-chemistry@ccl.net Mon Jun 3 13:51:35 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id NAA04550; Mon, 3 Jun 1996 13:27:07 -0400 (EDT) Received: from kodakr.kodak.com for lrbu00@xd88.kodak.com by bedrock.ccl.net (8.7.5/950822.1) id NAA17050; Mon, 3 Jun 1996 13:27:06 -0400 (EDT) From: Received: from euler.kodak.com by kodakr.kodak.com with SMTP id AA21966 (5.67b/IDA-1.5 for <@kodakr.kodak.com:chemistry@ccl.net>); Mon, 3 Jun 1996 13:24:20 -0400 Received: from xd88.kodak.com by euler.kodak.com via SMTP (940816.SGI.8.6.9/940406.SGI) for id NAA29142; Mon, 3 Jun 1996 13:26:35 -0400 Received: by xd88.kodak.com (AIX 3.2/UCB 5.64/4.03) id AA17516; Mon, 3 Jun 1996 13:26:35 -0400 Date: Mon, 3 Jun 1996 13:26:35 -0400 Message-Id: <9606031326.ZM17002@xd88.kodak.com> X-Mailer: Z-Mail (3.0.0 15dec93) To: chemistry@ccl.net Subject: G94/SGI/Irix-6.1 Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 To all who have already replied...Many thanks. Roberto Gomperts (the keeper of GXY) at SGI responded: D1... Thanks again: John -- John M. McKelvey email: mckelvey@Kodak.COM Computational Science Laboratory phone: (716) 477-3335 2nd Floor, Bldg 83, RL Eastman Kodak Company Rochester, NY 14650-2216 -- From MASONJS@rpr.rpna.com Mon Jun 3 21:51:34 1996 Received: from interlock.rpr.rpna.com for MASONJS@rpr.rpna.com by www.ccl.net (8.7.5/950822.1) id VAA06848; Mon, 3 Jun 1996 21:24:18 -0400 (EDT) Received: by interlock.rpr.rpna.com id AA16377 (InterLock SMTP Gateway 3.0 for CHEMISTRY@www.ccl.net); Mon, 3 Jun 1996 21:24:18 -0400 Received: by interlock.rpr.rpna.com (Internal Mail Agent-2); Mon, 3 Jun 1996 21:24:18 -0400 Received: by interlock.rpr.rpna.com (Internal Mail Agent-1); Mon, 3 Jun 1996 21:24:18 -0400 Mr-Received: by mta FWVX01; Relayed; Mon, 03 Jun 1996 21:18:18 -0400 Alternate-Recipient: prohibited Disclose-Recipients: prohibited Date: Mon, 03 Jun 1996 21:17:00 -0400 (EDT) From: "Jonathan S. MASON 610-454-3078" Subject: Delaware Valley Modeling meeting To: CHEMISTRY@www.ccl.net Message-Id: <01I5HIRP7KYUCG9DYZ@mr.fwvx03.com> Mime-Version: 1.0 Content-Type: MULTIPART/MIXED; BOUNDARY="Boundary (ID fLvudJPKR1efUWgYww71eA)" Posting-Date: Mon, 03 Jun 1996 21:17:00 -0400 (EDT) Importance: normal Priority: normal X400-Mts-Identifier: [;81811230606991/1559877@FWCL01] A1-Type: MAIL Hop-Count: 1 --Boundary (ID fLvudJPKR1efUWgYww71eA) Content-type: TEXT/PLAIN; CHARSET=US-ASCII --Boundary (ID fLvudJPKR1efUWgYww71eA) Content-type: MESSAGE/RFC822 Date: Sat, 1 Jun 1996 08:51:00 EDT From: Dominic Ryan Subject: - no subject (01I5E0KGX6KYCG971I) - To: dvm MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Posting-date: Mon, 3 Jun 1996 00:00:00 EDT Importance: normal A1-type: MAIL ======================================================================== Final Announcement for Upcoming DVM Meeting Title: Practical Applications of Ab Initio Calculations Speakers: Bill Glauser, Schrodinger, Inc. Ken Merz, Pennsylvania Stae University Location: Rhone-Poulenc Rorer Collegeville, PA Date: Tuesday, June 4, 1996 Time: 6:30 PM --------------------------------------------------------------- Directions to Rhone-Poulenc Rorer (Collegeville): >From PA Turnpike (I76 or I276) at King of Prussia/Valley Forge exit (Exit 24 on both I76 and I276; Exit 26B on Schuylkill Expressway) take Route 202 South (towards West Chester) about 1/2 mile to the Route 422 West exit. Take Route 422 West to Collegeville/Phoenixville Exit (after Oaks). At the end of exit ramp, bear Right on Route 29 North. Proceed to next traffic light and turn Right on Arcola Road. RPR entrance is 1/4 mile on Left. After security cabin, follow road (keeping right) to main parking lot - the barn is on the right. __ M. Dominic Ryan (610)-270-6529 SmithKline Beecham Pharmaceuticals Internet: ryanmd@mms.sbphrd.com King of Prussia, PA --Boundary (ID fLvudJPKR1efUWgYww71eA) Content-type: MESSAGE/RFC822 Date: Sun, 2 Jun 1996 13:46:00 EDT From: boultje@a1 Subject: MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Posting-date: Sun, 2 Jun 1996 13:46:00 EDT Importance: normal A1-type: DOCUMENT RFC-822-headers: Received: from interlock.rpr.rpna.com (RPR.RPNA.COM) by fwvx03.com (PMDF V5.0-5 #14345) id <01I5E0K75XWWCG99ER@fwvx03.com>; Sat, 01 Jun 1996 09:07:56 -0400 (EDT) Received: from mail1.its.rpi.edu by interlock.rpr.rpna.com with SMTP id AA23632 (InterLock SMTP Gateway 3.0); Sat, 01 Jun 1996 09:10:04 -0400 Received: from extreme.chem.rpi.edu (extreme.chem.rpi.edu [128.113.21.133]) by mail1.its.rpi.edu (8.6.9/8.6.4) with SMTP id IAA28912; Sat, 01 Jun 1996 08:51:35 -0400 Received: from phinet.sb.com by extreme.chem.rpi.edu via SMTP (920330.SGI/921111.SGI.AUTO) for @mail1.its.rpi.edu:billg@psgvb.com id AA05644; Sat, 01 Jun 1996 08:47:14 -0400 Received: from phu198.um.us.sbphrd.com by phinet.sbphrd.com; (5.65v3.0/1.1.8.2/06Mar95-1250PM) id AA24840; Sat, 01 Jun 1996 08:51:15 -0400 Received: by phu198.um.us.sbphrd.com (950911.SGI.8.6.12.PATCH825/940406.SGI) for dvm@extreme.chem.rpi.edu id IAA27619; Sat, 01 Jun 1996 08:51:15 -0400 --Boundary (ID fLvudJPKR1efUWgYww71eA)--