From chemistry-request@www.ccl.net Mon Nov 30 02:12:26 1998 Received: from csb0.IPC.PKU.EDU.CN (csb0.ipc.pku.edu.cn [162.105.177.12]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id CAA04698 Mon, 30 Nov 1998 02:12:23 -0500 (EST) Received: by csb0.IPC.PKU.EDU.CN (920330.SGI/940406.SGI.AUTO) for chemistry@www.ccl.net id AA07003; Mon, 30 Nov 98 15:10:06 -0800 Date: Mon, 30 Nov 1998 15:10:06 -0800 (PST) From: Fenglou Mao To: Rudolf Kiralj Cc: chemistry@www.ccl.net Subject: Re: CCL:free F compiler for Linux In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII g77 is a free compiler in linux. On Sat, 28 Nov 1998, Rudolf Kiralj wrote: > > > > Dear netters, > > does somebody know where I can find a free fortran compiler for Linux > platform? > > Thanks in advance for any help, information or suggestion > > > Rudolf Kiralj > Rudjer Boskovic Institute > Bijenicka 54 > POB 1016 > 10001 Zagreb > CROATIA > E-mail: kiralj@rudjer.irb.hr > > > > > > > > --- > Administrivia: This message is automatically appended by the mail exploder: > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > --- > Sincerely Yours, FengLou Mao ******************************* ADD:Mr. FengLou Mao Peking University BeiJing P.R.China Tel:86-10-62751490 Fax:86-10-62751725 From chemistry-request@www.ccl.net Mon Nov 30 04:12:24 1998 Received: from romeo.ic.ac.uk (romeo.ic.ac.uk [155.198.5.9]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id EAA05149 Mon, 30 Nov 1998 04:12:23 -0500 (EST) Received: from oban.cc.ic.ac.uk [155.198.5.28] by romeo.ic.ac.uk with smtp (Exim 1.62 #1) id 0zkPNT-0003DG-00; Mon, 30 Nov 1998 09:12:19 +0000 Received: from sg1.cc.ic.ac.uk ([155.198.63.8] helo=cscmgb.cc.ic.ac.uk) by oban.cc.ic.ac.uk with esmtp (Exim 1.90 #1) for CHEMISTRY@www.ccl.net id 0zkPNG-00008i-00; Mon, 30 Nov 1998 09:12:06 +0000 Received: from [155.198.224.86] by cscmgb.cc.ic.ac.uk (980427.SGI.8.8.8/4.0) id JAA23337; Mon, 30 Nov 1998 09:12:05 GMT Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" X-Sender: rzepa@155.198.63.8 Message-Id: Date: Mon, 30 Nov 1998 09:18:02 +0000 To: CHEMISTRY@www.ccl.net From: "Rzepa, Henry" Subject: Largest No. of bonds formed/cleaved in Concerted TS? Whilst writing a lecture on the diversity of transition states, the thought struck me that the vast majority of "concerted" transition states involve 0 -4 bonds being formed or broken (I leave aside controversial questions such as e.g are 2-bond Diels Alder Reactions concerted or really 1-bond biradicaloid reactions). Two examples of 5-bond reactions readily spring to mind (epoxidation by peracid of an alkene; Ph3P deoxygenation of a molozonide) but 6-bond and higher seem much rarer. I suspect tandem radical additions might be such, although would probably work out stepwise using theory? Has anyone come across candidates for the world record at eg RHF or MCSCF ab initio levels of theory ? It is of course possible to create artificial multi-bond reactions by requiring two or more lesser-bond reactions to occur concurrently. For example, we once looked at 12-bond reaction, involving six synchronous Diels Alder additions (dimerisation of C30H12), although unsurprisingly, this proved to be a sixth order stationary point and not a real transition state. Therefore any multi-bond reaction which is really two or more concurrent smaller reactions is excluded from the above. Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ If my digital email signature is invalid, download a new root at http://www.belsign.be/en/services/receive/install-ca.html