From bru@fcu.um.es Tue Mar 4 03:35:10 1997 Received: from unimur.um.es for bru@fcu.um.es by www.ccl.net (8.8.3/950822.1) id CAA24451; Tue, 4 Mar 1997 02:59:45 -0500 (EST) Received: from gaia.fcu.um.es (gaia.fcu.um.es [155.54.1.241]) by unimur.um.es (8.8.4/8.7.3) with ESMTP id JAA22282 for ; Tue, 4 Mar 1997 09:04:44 +0100 (MET) Received: from roquebru.bio.um.es (roquebru.bio.um.es [155.54.3.94]) by gaia.fcu.um.es (8.8.4/8.7.3) with SMTP id JAA22246 for ; Tue, 4 Mar 1997 09:01:19 GMT Message-Id: <199703040901.JAA22246@gaia.fcu.um.es> X-Sender: bru@gaia.fcu.um.es Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Tue, 04 Mar 1997 09:06:07 +0000 To: chemistry@www.ccl.net From: bru@fcu.um.es (Roque Bru Martinez) Subject: subscription X-Mailer: unsubscribe CCL Roque Bru-Martinez ---------------------------------------------------------------------------- Dr. Roque Bru-Martinez Phone: (+34 68) 30.71.00 ext 2945 Dpto. Bioquimica y Biol Mol. (A) Fax.....: (+34 68) 36.41.47 and 36.39.63 Fac. Veterinaria e-mail: bru@fcu.um.es Unidad Docente de Biologia UNIVERSIDAD DE MURCIA Sent using Eudora 1.4 Apto. 4021 E-30071 Murcia Spain ---------------------------------------------------------------------------- From ccl@www.ccl.net Tue Mar 4 07:27:01 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id GAA25555; Tue, 4 Mar 1997 06:57:27 -0500 (EST) Received: from rulway.leidenuniv.nl for frits@chemde4.leidenuniv.nl by bedrock.ccl.net (8.8.3/950822.1) id GAA26116; Tue, 4 Mar 1997 06:57:23 -0500 (EST) Received: from chemde4.LeidenUniv.nl by rulway.leidenuniv.nl with SMTP id AA18944 (5.67b/IDA-1.5 for <@RULWAY.LEIDENUNIV.NL:chemistry@ccl.net>); Tue, 4 Mar 1997 12:57:22 +0100 Received: by chemde4.leidenuniv.nl (920330.SGI/920502.SGI) for @RULWAY.LEIDENUNIV.NL:R29CLOSE@ETSU.etsu-tn.edu id AA11112; Tue, 4 Mar 97 13:00:46 +0100 Date: Tue, 4 Mar 97 13:00:46 +0100 From: frits@chemde4.leidenuniv.nl (Frits Daalmans) Message-Id: <9703041200.AA11112@chemde4.leidenuniv.nl> To: R29CLOSE@ETSU.ETSU-TN.EDU Subject: Re: CCL: G94 on LINUX Cc: chemistry@ccl.net [Apologies to the list for this off-topic subject, but this concerns errors that only show up under heavy system load, e.g. computational chemistry] Concerning RAM tests: Last year I had the same problem on a PC clone Linux machine (faulty RAM which only showed intermittently during, e.g., compiling large ab-initio packages). I used a (shareware) memory test program, testx33.zip, obtainable from any SIMTEL mirror (e.g. ftp.sunet.se) in directory msdos/memutil/testx33.zip Just run it overnight under DOS; it will perform various read/write operations and count the failures for *as long as you let it run*. It found the faulty chip where other test programs failed. Most faulty SIMMs (RAM chips) can apparently keep functioning until the system starts getting hot due to the duration and intensity of the computation in progress. So the memory test of a PC at boot time is really very unlikely to ever catch a bug, IMHO. Good luck, Frits Daalmans Frits Daalmans OIO Conformational Analysis Gorlaeus Laboratoria Leiden, The Netherlands E-mail: frits@chemde4.leidenuniv.nl Tel: [+31] (0)71-5274505 From visitorq@goliat.ugr.es Tue Mar 4 12:29:34 1997 Received: from goliat.ugr.es for visitorq@goliat.ugr.es by www.ccl.net (8.8.3/950822.1) id LAA28682; Tue, 4 Mar 1997 11:57:16 -0500 (EST) Received: (from visitorq@localhost) by goliat.ugr.es (8.8.5/8.7.3) id RAA11384; Tue, 4 Mar 1997 17:59:22 +0100 (MET) Date: Tue, 4 Mar 1997 17:59:16 +0100 (MET) From: Jose Molina Molina To: chemistry@www.ccl.net Subject: Aromaticity Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=ISO-8859-1 Content-Transfer-Encoding: QUOTED-PRINTABLE Dear Thorsten: The following references can be useful fot you. Ref Number : 000001 1. Schleyer, P.V., Maerker, C., Dransfeld, A., Jiao, H.J., and Hommes, N.J.= R.V. Nucleus- Independent Chemical-Shifts - A Simple and Efficient Aromaticity Probe. J.A= MER.CHEM.SOC.=20 118:6317-6318, 1996.=20 Ref Number : 000003 1. Lloyd, D. What Is Aromaticity. J.CHEM.INFORM.COMPUT.SCI. 36:442-447, 199= 6.=20 Ref Number : 000004 1. Krygowski, T.M., Ciesielski, A., and Cyranski, M. Aromatic Character of = the Cyclopentadienyl=20 Moiety Embedded in Various Chemical Environments - A Statistical Treatment = of the Structural=20 Data. J.MOL.STRUCT. 374:277-290, 1996.=20 Ref Number : 000005 1. Jiao, H.J., Hommes, N.J.R.V., Schleyer, P.V., and Demeijere, A. (5)Peric= yclynes Are Not=20 Homoaromatic. J.ORG.CHEM. 61:2826-2828, 1996.=20 Ref Number : 000006 1. Katritzky, A.R., Karelson, M., and Wells, A.P. Aromaticity as a Quantita= tive Concept .6.=20 Aromaticity Variation with Molecular Environment. J.ORG.CHEM. 61:1619-1623,= 1996.=20 Ref Number : 000007 1. Burk, P., Abboud, J.L.M., and Koppel, I.A. Aromaticity of Substituted Cy= clopropenes - A=20 Theoretical-Study. J.PHYS.CHEM. 100:6992-6997, 1996.=20 Ref Number : 000008 1. Nyulaszi, L. and Veszpremi, T. Nature of Bonding in Cyclic Conjugated Yl= ides. J.PHYS.CHEM.=20 100:6456-6462, 1996.=20 Ref Number : 000010 1. Goldfuss, B., Schleyer, P.V., and Hampel, F. Aromaticity in Silole Diani= ons - Structural, Energetic,=20 and Magnetic Aspects. ORGANOMETALLICS. 15:1755-1757, 1996.=20 Ref Number : 000011 1. Schleyer, P.V. and Jiao, H.J. What Is Aromaticity. PURE.APPL.CHEM. 68:20= 9-218, 1996.=20 Reprint: On Request (02/10/96) Keyword : solicitado a Madrid; Ref Number : 000012 1. Malar, E.J.P. Sindo1 Investigations on the Low-Lying States of Some 3 Me= mbered Antiaromatic=20 Systems. TETRAHEDRON 52:4709-4718, 1996.=20 Ref Number : 000013 1. Krygowski, T.M. and Cyranski, M. Separation of the Energetic and Geometr= ic Contributions to the=20 Aromaticity of Pi-Electron Carbocyclics. TETRAHEDRON 52:1713-1722, 1996.=20 The separation is applied to five-, six- and seven-membered rings in typica= l pi- electron systems=20 (benzenoid hydrocarbons, fullerenes, fulvene and heptafulvene derivatives) Ref Number : 000014 1. Furusaki, A. Direct Assessment of Sigma-Aromaticity in 3-Membered Rings = by Perturbation- Theory. THEOCHEM.J.MOL.STRUCT. 362:365-377, 1996.=20 Ref Number : 000015 1. Nyulaszi, L., Varnai, P., and Veszpremi, T. About the Aromaticity of 5-M= embered Heterocycles.=20 THEOCHEM.J.MOL.STRUCT. 358:55-61, 1995.=20 Ref Number : 000016 1. Heinemann, C., Muller, T., Apeloig, Y., and Schwarz, H. On the Question = of Stability, Conjugation,=20 and Aromaticity in Imidazol-2-Ylidenes and Their Silicon Analogs. J.AMER.CH= EM.SOC. 118:2023- 2038, 1996.=20 Best regards, =09=09REDOUAN EL BERGMI GRUPO DE MODELIZACION Y DISE=D1O MOLECULAR UNIVERSIDAD DE GRANADA SPAIN On Mon, 3 Mar 1997, Thorsten Koch wrote: >=20 > Dear CClers! >=20 > At the moment I am doing calculations which have to do with aromaticity.= =20 > Is anyone in the CCL community aware of any recent references or reviews= =20 > on what aramaticity actually is and how it can be defined and/or computed= =20 > and/or measured? The articles I read about this topic are mainly from the= =20 > 70's. > Any help will be appreciated. >=20 > Bye, Thorsten >=20 >=20 >=20 > /-----------------------------------------------------------------\ > | Thorsten Koch | > | Institut fuer Physikalische Chemie II der Universitaet zu Koeln | > | Luxemburger Str. 116, 50939 Koeln, Germany | > | acp37@.uni-koeln.de | > | Tel. +49 [0]221 470 4816 | > \-----------------------------------------------------------------/