From chemistry-request@server.ccl.net Sat Jul 29 21:02:18 2000 Received: from herald.cc.purdue.edu (herald.cc.purdue.edu [128.210.11.29]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id VAA07312 for ; Sat, 29 Jul 2000 21:02:18 -0400 Received: from [128.211.128.255] by herald.cc.purdue.edu with ESMTP; Sat, 29 Jul 2000 20:01:45 -0500 Mime-Version: 1.0 Content-Type: multipart/mixed; boundary="============_-1247192875==_============" Message-Id: Date: Sat, 29 Jul 2000 19:59:57 -0800 To: chemistry@ccl.net From: Eric Scerri Subject: seeing orbitals? --============_-1247192875==_============ Content-Type: text/plain; charset="us-ascii" Dear CCL'ers, I am completely new to this list and primarily a philosopher of chemistry not a practitioner in computational chemistry. I understand from a colleague in France that the question of "seeing orbitals" has recently been discussed. I would like to enclose a pre-print of an article which will appear in the November issue of Journal of Chemical Education. Comments are invited. When the article making the claim for observed orbitals first appeared in Nature magazine and various other places I sent letters to all the editors concerned. They all resuded to publish any dissenting words. I have since heard that several other people's letters to Nature in particular were also turned down for no apparent reason. May I also take this opportunity to invite list members to take a look at the web pages of Foundations of Chemistry and consider submitting an article of suitable philosophical, historical or pedagogical emphasis. regards, --============_-1247192875==_============ Content-Id: Content-Type: application/msword; name="orbitals_observed_JCEd.doc" ; x-mac-type="5736424E" ; x-mac-creator="4D535744" Content-Disposition: attachment; filename="orbitals_observed_JCEd.doc" Content-Transfer-Encoding: base64 0M8R4KGxGuEAAAAAAAAAAAAAAAAAAAAAOwADAP7/CQAGAAAAAAAAAAAAAAABAAAAAAAA AAAAAAAAEAAAAwAAAAEAAAD+////AAAAAAEAAAD///////////////////////////// //////////////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////////////// 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AABnEgAAexIAAHwSAACEEgAAkBIAACgTAACjEwAAwxMAAHwWAAB9FgAAfhYAAC8XAABD FwAAUxcAAFYXAABXFwAAXxcAAHoXAACaFwAAnxcAALEXAADRFwAA8xcAABMYAAA7GAAA WhgAAFsYAACXGAAAmRgAAJ4YAABmIQAAZyEAAHghAAC6IQAAwSEAANghAADZIQAA4iEA AAciAABhIgAAeyIAACQkAADYJwAA/CcAAAIsAADEMQAAxTEAAMYxAAAYPgAAQz4AAEQ+ AABMPgAAaz4AAII+AACDPgAAhz4AAIg+AACUPgAArj4AAL0+AADCPgAAwz4AAAU/AAAG PwAAHj8AAEM/AABEPwAAgz8AAIQ/AACZPwAAmz8AAJ0/AACePwAANkEAADpBAAA+QQAA SEEAAJdEAACZRAAAnUQAAJ9EAACgRAAAs0QAALREAA== --============_-1247192875==_============ Content-Type: text/plain; charset="us-ascii" Eric Scerri PhD, Visiting Professor, Department of Chemistry, Purdue University, West Lafayette, IN 47907 USA tel: 765 496 1992 Editor: Foundations of Chemistry, An Interdisciplinary journal for Philosophical, Historical and Educational Aspects of Chemistry. http://www.wkap.nl/journals/foch --============_-1247192875==_============-- From chemistry-request@server.ccl.net Sat Jul 29 22:32:17 2000 Received: from email.guomai.sh.cn (jlignxqvat@e4000.guomai.sh.cn [202.96.206.72]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id WAA07628 for ; Sat, 29 Jul 2000 22:32:16 -0400 Received: from guomai.sh.cn ([202.101.33.151]) by email.guomai.sh.cn (Sun Internet Mail Server sims.3.5.1999.07.30.00.05.p8) with ESMTP id <0FYH00JZ9OXL3R@email.guomai.sh.cn> for CHEMISTRY@ccl.net; Sun, 30 Jul 2000 10:44:11 +0800 (CST) Date: Sun, 30 Jul 2000 10:29:39 +0800 From: Yubo Fan Subject: G98 job cannot work To: CHEMISTRY@ccl.net Message-id: <39839313.9EE5F820@guomai.sh.cn> Organization: Fudan University MIME-version: 1.0 X-Mailer: Mozilla 4.73 [en] (Win98; I) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7bit X-Accept-Language: en Dear CCLers: I have met some problems when I ran G98 jobs on my machine. My machine is a dual PII computer with 256MB memory and RedHat Linux 6.2 is installed. G98 jobs can be run correctly if I don't use parallel option. When I add the line '%nprocs=2' on the top of input files, the following message was given. 'shmget failed.: Invalid argument' For I am a Linux beginner, I cannot solve this problem. Could you please give me some advice? Thanks in advance Sincerely yours, Y. Fan -- ============================================================= Yubo Fan Email: yubofan@guomai.sh.cn Organic Synthesis Lab The Department of Chemistry Fudan University Phone: 8621-65648139 No. 220 Handan Road Fax: 8621-65641740 Shanghai, 200433 P. R. China =============================================================