From chemistry-request@ccl.net Thu Jun 17 09:26:45 2004 Received: from mail2.cc.huji.ac.il (mail2.cc.huji.ac.il [132.64.1.18]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i5HEQh0v025709 for ; Thu, 17 Jun 2004 09:26:44 -0500 Received: from localhost (localhost [127.0.0.1]) by mail2.cc.huji.ac.il (Postfix) with ESMTP id A421E721E2; Thu, 17 Jun 2004 17:31:10 +0300 (IDT) Received: from mail2.cc.huji.ac.il (localhost [127.0.0.1]) by localhost (VaMailArmor-2.0.1.16) id 28820-357D7523; Thu, 17 Jun 2004 17:31:10 +0300 Received: by mail2.cc.huji.ac.il (Postfix, from userid 31998) id 9B0666ED12; Thu, 17 Jun 2004 17:31:10 +0300 (IDT) Received: from [192.168.0.2] (di8-33045.dialin.huji.ac.il [132.64.33.45]) by mail2.cc.huji.ac.il (Postfix) with ESMTP id A5159721E2; Thu, 17 Jun 2004 17:31:08 +0300 (IDT) From: Boris Gorelik To: jle(at)TheWorld.com Subject: Re: CCL:Why program in Java? Date: Thu, 17 Jun 2004 17:31:52 +0300 User-Agent: KMail/1.6.1 Cc: chemistry(at)ccl.net References: <43165.130.36.62.126.1086349577.squirrel(at)www.TheWorld.com> In-Reply-To: <43165.130.36.62.126.1086349577.squirrel(at)www.TheWorld.com> MIME-Version: 1.0 Content-Disposition: inline Content-Type: text/plain; charset="windows-1255" Content-Transfer-Encoding: 7bit Message-Id: <200406171731.53182.bgbg(at)pob.huji.ac.il> X-Spam-Level: X-Spam-Status: No, hits=-0.5 required=7.5 tests=SMILEY autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net There is an interesting benchmark that compares Java productivity (Sun Java 1.4.2_01) vs C++ (gcc3.3.1). The author claims that in most tasks Java performance was superior. The full story is here: http://www.sys-con.com/story/?storyid=45250 On Friday 04 June 2004 14:46, jle(at)TheWorld.com wrote: > Folks, I would appreciate pointers to any article/book discussing > the pros and cons of programming in Java. Either with regards to > other interpreted languages such as Python/Perl, or with regards > to compiled languages such as C/C++. Truly comparative articles > would be best, although evangelical texts would suffice (i.e. I've > read some of the XP literature :-). > > Thanks in advance! > > Joe > > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: > line and send your message to: CHEMISTRY(at)ccl.net > > Send your subscription/unsubscription requests to: > CHEMISTRY-REQUEST(at)ccl.net HOME Page: http://www.ccl.net | Jobs Page: > http://www.ccl.net/jobs > > If your mail is bouncing from CCL.NET domain send it to the maintainer: > Jan Labanowski, jlabanow(at)nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ -- Boris Gorelik -= ( 2*b || !(2*b)) That's the question =- Thu, 17/Jun/2004, 28 Sivan 5764 ------------------------------------------------- ! Molecular Modelling Group ! ! Pharmacy School, Hadassa Faculty of medicine ! ! The Hebrew University of Jerusalem ! ! http: // www .md.huji.ac.il/models/group.html ! ! !------------------------------------------------ From chemistry-request@ccl.net Thu Jun 17 02:22:27 2004 Received: from mailfilter.diszk.unideb.hu ([193.6.138.70]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i5H7MNQh013748 for ; Thu, 17 Jun 2004 02:22:24 -0500 Received: from mailfilter.diszk.unideb.hu (localhost [127.0.0.1]) by mailfilter.diszk.unideb.hu (Postfix) with SMTP id ACCD8A02CD; Thu, 17 Jun 2004 09:26:37 +0200 (CEST) Received: from Cthulhu (anti309.chem.klte.hu [193.6.133.108]) by delfin.unideb.hu (Postfix) with SMTP id 3F07FC807; Thu, 17 Jun 2004 09:26:37 +0200 (DFT) Message-ID: <003201c4543c$6ed7bda0$6c8506c1@Cthulhu> From: "Tamas E. Gunda" To: "Richard Wood" , References: <40CEE61C.9070002.-at-.cornell.edu> <40D04A25.6060106.-at-.cornell.edu> Subject: Re: CCL: converting a -CH3 to a C(CH3)3 Date: Thu, 17 Jun 2004 09:26:40 +0200 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2800.1409 X-MIMEOLE: Produced By Microsoft MimeOLE V6.00.2800.1409 X-Spam-Status: No, hits=4.5 required=7.5 tests=MAILTO_TO_SPAM_ADDR,NO_RDNS2 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hi This is not at all straightforward. In real life you cannot simply exchange a C-methyl like this to a t-butyl. It must be done in an earlier phase, and very probably you cannot find a ready-tailored side chain like this. Contact with the chemists originally synthesized the compound or check the literature. Tamas ----- Original Message ----- From: "Richard Wood" To: Sent: Wednesday, June 16, 2004 3:24 PM Subject: CCL:converting a -CH3 to a C(CH3)3 > > Hi all > > I didn't get a satisfactory answer, so I'll try again. > > I would like to replace an -O-C(CH3)2-COOH group with an > -O-C(C(CH3)3))2-COOH group. I know it can be done, because the group > that is on the molecule now replaced a methyl group. In other words, the > molecule I have is a derivative of a previously made one. I can't say > more than this about my molecule. Those of you that work for a company > will understand this. > > Richard > > Richard Wood wrote: > > > Hi all > > > > This a synthesis question. I've done some computations and converted > > a methyl group into a t-butyl group with no problem. > > > > My question is how can a methyl group be converted synthetically into > > a t-butyl group? If anyone out there knows how, including reagents, > > conditions etc. please let me know. > > > > Thank you in advance, > > Richard > > > > -- > Richard L. Wood, Ph. D. > Computational Chemist > SynVax, Inc. > N. Logan, UT 84341 > > > > > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: line > and send your message to: CHEMISTRY.-at-.ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST.-at-.ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your mail is bouncing from CCL.NET domain send it to the maintainer: > Jan Labanowski, jlabanow.-at-.nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > > From chemistry-request@ccl.net Thu Jun 17 16:04:44 2004 Received: from smtp4.es.uci.edu (smtp4.es.uci.edu [128.200.80.7]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i5HL4g0v006621 for ; Thu, 17 Jun 2004 16:04:43 -0500 Received: from 128.200.204.158 (dhcp-204158.bio.uci.edu [128.200.204.158]) by smtp4.es.uci.edu (8.12.8/8.12.8) with ESMTP id i5HL96oh027790 for ; Thu, 17 Jun 2004 14:09:06 -0700 Date: Thu, 17 Jun 2004 14:08:58 -0700 From: Qiang Lu X-Mailer: The Bat! (v1.62r) Reply-To: Qiang Lu Organization: UCI MBB X-Priority: 3 (Normal) Message-ID: <6039937.20040617140858|at|uci.edu> To: chemistry|at|ccl.net Subject: how to calculate proton dissociation energy in GAUSSIAN03 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-NACS_ES-MailScanner: No viruses found X-Spam-Status: No, hits=0.0 required=7.5 tests=none 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 CCL-ers, I want to calculate the proton dissociation energy of imidazole when it is a ligand of ZN. Could you tell me some hint about how to perform it? Any suggestion will be helpful. Thank you in advance. -- Best regards, Qiang Lu mailto:qiangl|at|uci.edu