From chemistry-request@ccl.net Sat Mar 27 18:05:24 2004 Received: from hellmouth4.gatech.edu (hellmouth4.gatech.edu [130.207.165.164]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i2RN5Njs027543 for ; Sat, 27 Mar 2004 18:05:23 -0500 Received: from hellmouth4.gatech.edu (localhost [127.0.0.1]) by hellmouth4.gatech.edu (Postfix) with SMTP id 95B7FACD2 for ; Sat, 27 Mar 2004 18:03:50 -0500 (EST) (envelope-from ok16$at$mail.gatech.edu) Received: from acmex.gatech.edu (acmex.prism.gatech.edu [130.207.171.14]) by hellmouth4.gatech.edu (Postfix) with ESMTP id 80DBCACB4 for ; Sat, 27 Mar 2004 18:03:50 -0500 (EST) (envelope-from ok16$at$mail.gatech.edu) Received: by acmex.gatech.edu (Postfix, from userid 11564) id 2B4B21DFB0; Sat, 27 Mar 2004 18:03:50 -0500 (EST) Received: from localhost (localhost [127.0.0.1]) by acmex.gatech.edu (Postfix) with ESMTP id 0EE031F180 for ; Sat, 27 Mar 2004 18:03:50 -0500 (EST) (envelope-from ok16$at$mail.gatech.edu) Date: Sat, 27 Mar 2004 18:03:49 -0500 (EST) From: Ohyun Kwon X-X-Sender: Reply-To: Tommy Ohyun Kwon To: Subject: spin-orbit coupling Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=0.9 required=7.0 tests=FROM_ENDS_IN_NUMS autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear CCler's I would greatly appreciate it if anyone suggest me any ab initio or semiempirical program to do spin-orbit coupling calculations of organic molecules. Looking forward to hearing from you! Best wishes, Tommy Ohyun Kwon, Ph.D School of Chemistry and Biochemistry Georgia Institute of Technology Atlanta Georgia, 30332 Email: ohyun.kwon$at$chemistry.gatech.edu From chemistry-request@ccl.net Sun Mar 28 14:54:15 2004 Received: from exmails1.chem.ucla.edu ([169.232.134.2]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i2SJsEjs011576 for ; Sun, 28 Mar 2004 14:54:14 -0500 Received: from [169.232.128.53] (dial53.chem.ucla.edu [169.232.128.53]) (authenticated bits=0) by exmails1.chem.ucla.edu (8.12.8/8.12.8) with ESMTP id i2SJuO7s032181; Sun, 28 Mar 2004 11:56:25 -0800 Mime-Version: 1.0 X-Sender: scerri!at!chlorine.chem.ucla.edu (Unverified) Message-Id: Date: Sun, 28 Mar 2004 11:57:01 -0800 To: HOPOS-L!at!listserv.nd.edu From: Eric Scerri Subject: special issue on chemical explanation now published Cc: CHEMED-L!at!MAILER.UWF.EDU, history of chemistry , PHILCHEM!at!LISTSERV.SC.EDU, ccl Content-Type: multipart/alternative; boundary="============_-1131618656==_ma============" X-Spam-Status: No, hits=0.5 required=7.0 tests=HTML_50_60,HTML_FONTCOLOR_BLUE, HTML_FONTCOLOR_UNSAFE,HTML_FONT_BIG,HTML_MESSAGE autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net --============_-1131618656==_ma============ Content-Type: text/plain; charset="iso-8859-1" ; format="flowed" Content-Transfer-Encoding: quoted-printable =46oundations of Chemistry volume 6 # 1. Philosophical, Historical, Educational and Interdisciplinary Studies of Chemistry http://www.kluweronline.com/issn/1386-4238 then go to journal contents. A Special Issue in honor of Stuart Rosenfeld. Editorial 16 pp. 1-2 Eric R. Scerri Introduction pp. 3-9 Nalini Bhushan Theoretical Chemistry pp. 11-11 Roald Hoffmann Telltale Signs: What Common Explanatory Strategies in Chemistry Reveal about Explanation Itself pp. 13-43 Andrea I. Woody Prediction, Explanation, and Dioxin Biochemistry: Science in Public Policy pp. 49-63 Heather Douglas Strain, Structure, Stability and Reactivity pp. 65-80 Kenneth B. Wiberg Straining to Explain Strain and Synthesis pp. 81-91 Jeffry L. Ramsey Just how ab initio is ab initio quantum chemistry? pp. 93-116 Eric R. Scerri =8A hasn't it? A commentary on Eric Scerri's Paper ``Has Quantum Mechanics Explained the Periodic Table?'' pp. 117-132 Bretislav Friedrich Call for Papers / Meeting in Durham, UK, August 2004. pp. 133-133 --============_-1131618656==_ma============ Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable special issue on chemical explanation now published

 

Foundations of Chemistry  volume 6 # 1.
Philosophical, Historical, Educational and Interdisciplinary Studies of Chemistry

http://www.kluweronline.com/issn/1386-4238  then go to journal contents.



A Special Issue in honor of Stuart Rosenfeld.
 
Editorial 16
pp. 1-2 Eric R. Scerri
 
Introduction
pp. 3-9 Nalini Bhushan
 
Theoretical Chemistry
pp. 11-11       Roald Hoffmann

Telltale Signs: What Common Explanatory Strategies in Chemistry Reveal about Explanation Itself
pp. 13-43       Andrea I. Woody
 
Prediction, Explanation, and Dioxin Biochemistry: Science in Public Policy
pp. 49-63     Heather Douglas

Strain, Structure, Stability and Reactivity
pp. 65-80       Kenneth B. Wiberg
 
Straining to Explain Strain and Synthesis
pp. 81-91       Jeffry L. Ramsey

Just how ab initio is ab initio quantum chemistry?
pp. 93-116      Eric R. Scerri 
 
=8A hasn't it? A commentary on Eric Scerri's Paper ``Has Quantum Mechanics Explained the Periodic Table?''
pp. 117-132     Bretislav =46riedrich
 
Call for Papers / Meeting in Durham, UK, August 2004.
pp. 133-133    
 
 



 
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