From chemistry-request@server.ccl.net Tue Jun 5 16:08:50 2001 Received: from ns02.sbphrd.com (firewall-user@[208.198.64.2]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f55K8n518307 for ; Tue, 5 Jun 2001 16:08:49 -0400 Received: by ns02.sbphrd.com; id QAA29936; Tue, 5 Jun 2001 16:08:40 -0400 (EDT) From: Received: from unknown(139.136.64.5) by ns02.sbphrd.com via smap (V5.0) id xma029891; Tue, 5 Jun 01 16:08:26 -0400 Received: from uksmtp01.ha.uk.sbphrd.com (uksmtp01.ha.uk.sbphrd.com [139.136.216.185]) by phinet.sbphrd.com (8.9.1b+Sun/8.9.1) with ESMTP id QAA05131; Tue, 5 Jun 2001 16:08:22 -0400 (EDT) Subject: Objects in Bio- & Chem-Informatics 2001, Boston (USA), July 9-10 To: biopython-announce-l@biopython.org, chemweb@ic.ac.uk, bioinformatics@sdsc.edu, tc@omg.org, lifesciences@omg.org, chemistry@ccl.net Date: Tue, 5 Jun 2001 16:06:58 -0400 Message-ID: X-MIMETrack: Serialize by Router on UKSMTP01/SERVERS/PHRD/SB_PLC(Release 5.0.5 |September 22, 2000) at 05/06/2001 21:07:46 MIME-Version: 1.0 Content-type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id f55K8o518308 We apologize to those who receive multiple copies of this email. Please distribute this call to all interested parties. -------------------------------------------------------------------------------------------------- Objects in Bio- & Chem-Informatics 2001 (OiBC) July 9 and 10, 2001 Sheraton Ferncroft Resort, Danvers, Massachusetts, USA http://www.omg.org/lsr/oibc/ Following in the tradition of the successful 'Objects in Bioinformatics' conferences held in Hinxton, UK in 1997 and 98 and in San Jose, California in 1999, Objects in Bio- & Chem-informatics 2001 focuses on the role of object-oriented technology, reusable software components, ontologies, design patterns, and distributed computing in life sciences research. The conference is aimed at developers, integrators, and users of object-oriented software for the biological and chemical research community in both academia and industry. The overall theme of the conference is sharing best practices for implementing object-based systems in life sciences research. The conference will include lectures and poster sessions on the application of these technologies to bioinformatics, cheminformatics, genomics, structural biology, proteomics, computational biology, and related disciplines. The program will include presentations of current work from: · ArQule · NetGenics · Azara · Object Management Group · BioAnalyte · open-bio.org · Biogen · Physiome Sciences · Blackstone Technology Group · San Diego Supercomputer Center · Crystallics · Sandia National Laboratories · Doubletwist · Sanger Centre · European Bioinformatics Institute · Scripps Research Institute · GlaxoSmithKline · Synomics · IBM Research · Thermo LabSystems · Incyte Genomics · 3rd Millennium · Keio University · University of Cambridge · Life Science Informatics Solutions · University of Colorado · LION Bioscience · University of Connecticut · Los Alamos National Laboratory · University of Massachusetts Lowell · Millennium Pharmaceuticals · Virtek · National Institute of · Weizmann Institute of Science Standards and Technology · Wyeth Ayerst Research OiBC 2001 will be held in conjunction with OMG's Technical Committee (TC) Meeting Week in Danvers, Massachusetts (19 miles north of Boston). Attendees of OiBC-2001 are also invited to attend the OMG TC Meeting in its entirety and view first hand OMG's standards adoption process in action. During these meeting weeks, members will apply OMG's open, vendor-neutral, consensus-building standardization process to set industry software standards in domains such as Life Sciences Research, Telecommunications, Manufacturing, Human Resources, and Healthcare. The full agenda and presentation abstracts, as well as hotel and registration information for OiBC 2001 are available at www.omg.org/lsr/oibc. To learn more about the initiatives underway with the Life Science Research Domain Task Force, see their roadmap at www.omg.org/lsr. From chemistry-request@server.ccl.net Tue Jun 5 21:47:17 2001 Received: from cqf.co.cu ([63.170.172.34]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f561lD523559 for ; Tue, 5 Jun 2001 21:47:13 -0400 Received: (qmail 5405 invoked from network); 5 Jun 2001 21:13:27 -0000 Received: from unknown (HELO pdc.cqf.co.cu) (10.1.10.2) by 10.1.10.1 with SMTP; 5 Jun 2001 21:13:27 -0000 Received: from cqf.co.cu (PDC [10.1.10.2]) by pdc.cqf.co.cu with SMTP (Microsoft Exchange Internet Mail Service Version 5.5.1960.3) id MHYNVDXV; Tue, 5 Jun 2001 05:26:26 -0400 Message-ID: <3B1CA5B1.74A577B7@cqf.co.cu> Date: Tue, 05 Jun 2001 05:26:09 -0400 From: Juan Alexander X-Mailer: Mozilla 4.7 [en] (WinNT; I) X-Accept-Language: en MIME-Version: 1.0 To: "chemistry@ccl.net" Subject: Re: CCL:G98 error References: <003c01c0edef$f5ad0ee0$7756c480@chem.arizona.edu> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hello: I would like to review info about the hepatic first pass effect, as well as find some database of clearance values and other pharmacokinetics data. Any sugestions? -- Greatings Prof. Juan Alexander Padron Garcia Centro de Quimica Farmaceutica La Havana Cuba padrongj@cqf.co.cu From chemistry-request@server.ccl.net Tue Jun 5 15:53:53 2001 Received: from t12mail.lanl.gov ([128.165.22.99]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f55Jrq518045 for ; Tue, 5 Jun 2001 15:53:52 -0400 Received: from lanl.gov (IDENT:tymczak@gold.lanl.gov [128.165.22.10]) by t12mail.lanl.gov (8.9.1a/8.9.1) with ESMTP id NAA23103 for ; Tue, 5 Jun 2001 13:53:52 -0600 (MDT) Sender: tymczak@t12mail.lanl.gov Message-ID: <3B1D2A99.903B760D@lanl.gov> Date: Tue, 05 Jun 2001 12:53:13 -0600 From: "C. J. Tymczak" Organization: LANL X-Mailer: Mozilla 4.76 [en] (X11; U; Linux 2.4.2 i686) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: CCL:Crystal Accuarcy References: <4.3.0.20010102121419.00b70530@service2.area.fi.cnr.it> <00080902024200.01945@pxq76> Content-Type: multipart/alternative; boundary="------------AD1E60F01EEEABD03F432459" --------------AD1E60F01EEEABD03F432459 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear CCL'ers, Does anyone know how to increase, in a consitent manner the accuracy of Crystal98 ?? I have the Input deck below: ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Diamond-2 STO-3G CRYSTAL 0 0 0 227 3.57 1 6 0.1250000000 0.1250000000 0.1250000000 END 6 2 0 0 3 2. 1. 71.6168370 0.15432897 13.0450960 0.53532814 3.53051220 0.44463454 0 1 3 4. 1. 2.94124940 -0.09996723 0.15591627 0.68348310 0.39951283 0.60768372 0.22228990 0.70011547 0.39195739 99 0 END DFT BASIS 0 6 2 1 0 18 0.4445 143.2340 1 4 18 0.4445 143.2340 99 0 EXCHANGE LDA END TOLINTEG 12 12 1 1 1 NOBIPOLA END 1 0 1 TOLSCF 11 11 MAXCYCLE 50 FMIXING 40 END ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ I have tried to do this by decreasing the tolerences of the overlap and penetration of the colomb integrals (from 7 to 14). I do not get a consistent convergence of the total energy. Has anyone seen this and What am I doing wrong ?? CJ Tymczak ========================================================= | Dr. C. J. Tymczak | | Group T-12 MS 268 | | Los Alamos National Laboratory | | Phone:(505)-667-3881 | ========================================================= --------------AD1E60F01EEEABD03F432459 Content-Type: text/html; charset=us-ascii Content-Transfer-Encoding: 7bit 
Dear CCL'ers,

Does anyone know how to increase, in a consitent manner

the accuracy of Crystal98 ?? 

I have the Input deck below: 

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 

Diamond-2 STO-3G 
CRYSTAL 
0 0 0 
227 
3.57 
1 
6  0.1250000000     0.1250000000   0.1250000000 
END 
6 2 
0 0 3 2.  1. 
71.6168370      0.15432897 
13.0450960      0.53532814 
3.53051220      0.44463454 
0 1 3 4.  1. 
2.94124940     -0.09996723      0.15591627 
0.68348310      0.39951283      0.60768372 
0.22228990      0.70011547      0.39195739 
99 0 
END 
DFT 
BASIS 
0 
6 2 
1 0 18  0.4445  143.2340 
1 4 18  0.4445  143.2340 
99 0 
EXCHANGE 
LDA 
END 
TOLINTEG 
12 12 1 1 1 
NOBIPOLA 
END 
1 0 1 
TOLSCF 
11 11 
MAXCYCLE 
50 
FMIXING 
40 
END 

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 

I have tried to do this by decreasing the tolerences of the overlap and penetration of the colomb integrals 
(from 7 to 14).  I do not get a consistent convergence of the total energy. Has anyone seen this and 
What am I doing wrong ?? 

CJ Tymczak 
=========================================================
|  Dr. C. J. Tymczak                                    |
|  Group T-12   MS 268                                  |
|  Los Alamos National Laboratory                       |
|  Phone:(505)-667-3881                                |
=========================================================
  --------------AD1E60F01EEEABD03F432459-- From chemistry-request@server.ccl.net Tue Jun 5 21:52:46 2001 Received: from phnxpop5.phnx.uswest.net ([206.80.192.5]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f561qj523756 for ; Tue, 5 Jun 2001 21:52:45 -0400 Received: (qmail 59994 invoked by uid 0); 6 Jun 2001 01:52:21 -0000 Received: from phnxdslgw1poolc62.phnx.uswest.net (HELO default.asu.edu) (63.229.73.62) by pop.phnx.uswest.net with SMTP; 6 Jun 2001 01:52:21 -0000 Date: Mon, 11 Jun 2001 18:54:26 -0700 Message-Id: <5.0.2.1.0.20010611185019.00a02ec0@imap4.asu.edu> From: "Benjamin J Moritz" To: chemistry@ccl.net X-Sender: bmoritz@imap4.asu.edu X-Mailer: QUALCOMM Windows Eudora Version 5.0.2 Subject: Freq Calc Mime-Version: 1.0 Content-Type: multipart/alternative; boundary="=====================_2171156==_.ALT" --=====================_2171156==_.ALT Content-Type: text/plain; charset="us-ascii"; format=flowed Dear CCLers, I have a question about performing frequency calculations in G98. We have optimized several structures using the Amsterdam Density Functional (ADF) program and would now like to perform seperate frequency calculations on only a certain section of the optimized structure. My question to CCL is can I create an input file with the optimized internal coordinates from ADF, and freeze a section of the structure and have Gaussian 98 perform frequency calculations on the unfrozen atoms? Any help is greatly appreciated. Thank you. **************************************************************** Benjamin J. Moritz home (602) 453-9411 Dept. of Chemistry & Biochemistry work (480) 965-8509 Arizona State University Mailto:bmoritz@asu.edu P. O. Box 871604 Tempe, AZ 85287-1604 **************************************************************** "Karma is justice without the satisfaction." --=====================_2171156==_.ALT Content-Type: text/html; charset="us-ascii" Dear CCLers,

I have a question about performing frequency calculations in G98.  We have optimized several structures using the Amsterdam Density Functional (ADF) program and would now like to perform seperate frequency calculations on only a certain section of the optimized structure.  My question to CCL is can I create an input file with the optimized internal coordinates from ADF, and freeze a section of the structure and have Gaussian 98 perform frequency calculations on the unfrozen atoms?  Any help is greatly appreciated.  Thank you.


****************************************************************
Benjamin J. Moritz                                       home (602) 453-9411
Dept. of Chemistry & Biochemistry                 work (480) 965-8509
Arizona State University                                Mailto:bmoritz@asu.edu
P. O. Box 871604
Tempe, AZ  85287-1604
****************************************************************

"Karma is justice without the satisfaction."
 --=====================_2171156==_.ALT-- From chemistry-request@server.ccl.net Wed Jun 6 02:36:25 2001 Received: from fep2.online.sh.cn ([202.96.209.75]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f566ZX526920 for ; Wed, 6 Jun 2001 02:36:24 -0400 Received: from 169 ([61.151.32.243]) by fep2.online.sh.cn (InterMail vM.4.01.03.00 201-229-121) with SMTP id <20010606063546.GMBO21008.fep2.online.sh.cn@169> for ; Wed, 6 Jun 2001 14:35:46 +0800 Date: Wed, 6 Jun 2001 14:35:40 +0800 From: Song Yun-long To: "chemistry@ccl.net" Subject: orbital component X-mailer: FoxMail 3.0 beta 2 [cn] Mime-Version: 1.0 Content-Type: text/plain; charset="GB2312" Content-Transfer-Encoding: 7bit Message-Id: <20010606063546.GMBO21008.fep2.online.sh.cn@169> Dear sir, I am a novice of quantum chemistry.I need to analysis the component of HOMO or LUMO orbital,ie, which atom and which orbital compose the HOMO orbital.I know it can be calculated from the molecular coefficient of the HOMO orbital.But I didn't know the details.Can you help me? I wonder if there is some freeware to solve the problem? Besides, I used MOPAC6.0 interfaced with Sybyl program package! Thank you in advance! Song Yun-long songyunlong@263.net From chemistry-request@server.ccl.net Wed Jun 6 03:04:25 2001 Received: from hermes.bmc.uu.se ([130.238.39.159]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f5674O527441 for ; Wed, 6 Jun 2001 03:04:25 -0400 Received: from XRAY.bmc.uu.se ([130.238.37.10]) by hermes.bmc.uu.se (Post.Office MTA v3.5.3 release 223 ID# 0-62649U1500L1000S0V35) with ESMTP id se; Wed, 6 Jun 2001 09:05:49 +0200 Received: from zorn.bmc.uu.se (IDENT:spoel@zorn.bmc.uu.se [130.238.37.95]) by XRAY.bmc.uu.se (8.9.3/8.8.7) with ESMTP id JAA01991; Wed, 6 Jun 2001 09:04:51 +0200 Date: Wed, 6 Jun 2001 09:04:17 +0200 (CEST) From: David van der Spoel X-Sender: spoel@zorn.bmc.uu.se To: Marc BAADEN cc: CHEMISTRY@ccl.net, jose.faraldo-gomez@christ-church.ox.ac.uk Subject: Re: CCL:tri-fluor-ethanol (TFE) solvent force field parameters and coordinates In-Reply-To: <200106051633.SAA09567@post.webmailer.de> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Tue, 5 Jun 2001, Marc BAADEN wrote: > >Dear All, > >below I forward a message from a colleague. You can either reply directly >to him (mailto:jose.faraldo-gomez@christ-church.ox.ac.uk), or I will forward >any responses. M. Fioroni, K. Bruger, A.E. Mark and D. Roccatano A new 2,2,2-trifluoroethanol model for molecular dynamics simulations. J. Phys. Chem. B, 104 (2000), 12347-12354. Groeten, David. ________________________________________________________________________ Dr. David van der Spoel Biomedical center, Dept. of Biochemistry s-mail: Husargatan 3, Box 576, 75123 Uppsala, Sweden e-mail: spoel@xray.bmc.uu.se www: http://zorn.bmc.uu.se/~spoel phone: 46 18 471 4205 fax: 46 18 511 755 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ From chemistry-request@server.ccl.net Wed Jun 6 07:27:06 2001 Received: from vytautas.vdu.lt ([193.219.38.33]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f56BR4510228 for ; Wed, 6 Jun 2001 07:27:05 -0400 Received: from vaidila.vdu.lt ([193.219.38.52] ident=root) by vytautas.vdu.lt with esmtp id 157bSd-0007iV-00; Wed, 06 Jun 2001 13:26:51 +0200 Received: from vejas.vdu.lt (vejas.vdu.lt [193.219.38.82]) by vaidila.vdu.lt (8.9.3/8.9.3) with ESMTP id NAA26436; Wed, 6 Jun 2001 13:29:05 +0200 (GMT) Date: Wed, 6 Jun 2001 01:26:51 +0200 From: a3arzi X-Mailer: The Bat! (v1.44) UNREG / CD5BF9353B3B7091 Reply-To: "Art'" X-Priority: 3 (Normal) Message-ID: <16217952612.20010606012651@vaidila.vdu.lt> To: Song Yun-long CC: "chemistry@ccl.net" Subject: Re: CCL:orbital component In-reply-To: <20010606063546.GMBO21008.fep2.online.sh.cn@169> References: <20010606063546.GMBO21008.fep2.online.sh.cn@169> Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi, Try contact with S.I.Gorelsky (serge@yorku.ca) for "MOMIX" software.... It is suitible for MO analysis over fragments of molecules ... Good luck Arturas Z. From chemistry-request@server.ccl.net Wed Jun 6 06:00:25 2001 Received: from wb486.ch.pwr.wroc.pl ([156.17.2.50]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f56A0N504163 for ; Wed, 6 Jun 2001 06:00:23 -0400 Received: by wb486.ch.pwr.wroc.pl via smail with stdio id for chemistry@ccl.net; Wed, 6 Jun 2001 11:06:12 +0200 (MET DST) (Smail-3.2 1996-Jul-4 #16 built 1998-Dec-01) Message-Id: Date: Wed, 6 Jun 2001 11:06:12 +0200 (MET DST) From: zalesny@wb486.ch.pwr.wroc.pl (Robert Zalesny) To: escr@klingon.uab.es, rrashid@unlserve.unl.edu Subject: Re: CCL:Hyperpolarizability calculations. Cc: chemistry@ccl.net There is a review related to calculations of nonlinear optical properties written by Kurtz: * Kurtz,H.A.;Dudis,D.S. in "Review in Computational Chemistry" Vol.12 Ed. K.B.Lipkowitz One may also looks for a review in: * Chemical Review (1994),Vol.94 All the number is concerned to nonlinear optical properties of molecules. To my best knowledge the freeware programs that have capabilities of calculations above mentioned properties are: GAMESS DALTON These are the most famous. ================================== Robert Zalesny Quantum Chemistry Group Wroclaw University of Technology Poland ================================== From chemistry-request@server.ccl.net Wed Jun 6 07:49:22 2001 Received: from cqf.co.cu ([63.170.172.34]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f56BnI510500 for ; Wed, 6 Jun 2001 07:49:19 -0400 Received: (qmail 6871 invoked from network); 6 Jun 2001 11:38:20 -0000 Received: from unknown (HELO pdc.cqf.co.cu) (10.1.10.2) by 10.1.10.1 with SMTP; 6 Jun 2001 11:38:20 -0000 Received: from cqf.co.cu (PDC [10.1.10.2]) by pdc.cqf.co.cu with SMTP (Microsoft Exchange Internet Mail Service Version 5.5.1960.3) id MHYNVD9Q; Tue, 5 Jun 2001 19:47:29 -0400 Message-ID: <3B1D6F7B.6AAA7984@cqf.co.cu> Date: Tue, 05 Jun 2001 19:47:07 -0400 From: Juan Alexander X-Mailer: Mozilla 4.7 [en] (WinNT; I) X-Accept-Language: en MIME-Version: 1.0 To: "chemistry@ccl.net" Subject: CCL:Hepatic effect References: <003c01c0edef$f5ad0ee0$7756c480@chem.arizona.edu> <3B1CA5B1.74A577B7@cqf.co.cu> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit > Hello: > > I would like to review info about the hepatic first pass effect, as well > as find some database of clearance values and other pharmacokinetics > data. Any sugestions? > > -- > Greatings > Prof. Juan Alexander Padron Garcia > Centro de Quimica Farmaceutica > La Havana Cuba > padrongj@cqf.co.cu > From chemistry-request@server.ccl.net Wed Jun 6 13:56:35 2001 Received: from carbon.chem.ucla.edu ([128.97.35.55]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f56HuZ517017 for ; Wed, 6 Jun 2001 13:56:35 -0400 Received: from [128.97.147.212] (ch-12.psnet.ucla.edu [128.97.147.212]) by carbon.chem.ucla.edu (8.9.1a/8.9.1) with ESMTP id KAA27505 for ; Wed, 6 Jun 2001 10:56:33 -0700 (PDT) Mime-Version: 1.0 Message-Id: Date: Wed, 6 Jun 2001 10:56:30 -0700 To: chemistry@ccl.net From: Eric Scerri Subject: phase information/orbitals question Content-Type: text/plain; charset="us-ascii" ; format="flowed" At the risk of re-opening the debate on the observation of orbitals, I recently had a communication informing me that several experiments have provided phase information involving electrons in atoms and molecules and that this can be regarded as evidence for wavefunctions as opposed to electron density. I wonder if anyone has any views on this and/or whether they might provide examples of this kind of work. eric scerri -- Dr. Eric Scerri , UCLA, Department of Chemistry & Biochemistry, 607 Charles E. Young Drive East, Los Angeles, CA 90095-1569 USA E-mail : scerri@chem.ucla.edu tel: 310 206 7443 fax: 310 206 2061 Web Page: http://www.chem.ucla.edu/dept/Faculty/scerri/index.html Editor of Foundations of Chemistry http://www.wkap.nl/journalhome.htm/1386-4238 Also see International Society for the Philosophy of Chemistry http://www.georgetown.edu/earleyj/ISPC.html From chemistry-request@server.ccl.net Wed Jun 6 13:44:03 2001 Received: from gatekeeper.itqb.unl.pt (qmailr@[193.136.177.1]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f56Hhc516834 for ; Wed, 6 Jun 2001 13:43:42 -0400 Received: (qmail 14365 invoked from network); 6 Jun 2001 17:43:26 -0000 Received: from mistral.itqb.unl.pt (sgodinho@193.136.176.14) by gatekeeper.itqb.unl.pt with SMTP; 6 Jun 2001 17:43:26 -0000 Received: from localhost (sgodinho@localhost) by mistral.itqb.unl.pt (8.9.3/8.9.3) with ESMTP id SAA24792 for ; Wed, 6 Jun 2001 18:43:26 +0100 Date: Wed, 6 Jun 2001 18:43:26 +0100 (WEST) From: Sofia Godinho To: CCL Subject: nth-order saddle point, n>1 Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCLers, I wonder what is the chemical/physical meaning of a nth-order saddle point (n>1)? That is...for instance, when I get four immaginary frequencies does it mean that I have to "pass through" four vibrational modes to arrive to a minimum? (Or to three to get to a transition state?) Or it simply has nothing to do with it and it is only a mathematical definition of a saddle point? Or...? May I thank you in advance for any help, Sofia Sofia Godinho Ph-D student ITQB-UNL-Portugal email: sgodinho@itqb.unl.pt From chemistry-request@server.ccl.net Wed Jun 6 16:36:24 2001 Received: from web11008.mail.yahoo.com ([216.136.131.58]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f56KaN518897 for ; Wed, 6 Jun 2001 16:36:23 -0400 Message-ID: <20010606203622.33356.qmail@web11008.mail.yahoo.com> Received: from [148.206.32.114] by web11008.mail.yahoo.com; Wed, 06 Jun 2001 15:36:22 CDT Date: Wed, 6 Jun 2001 15:36:22 -0500 (CDT) From: =?iso-8859-1?q?Miguel=20Balderas?= Subject: phD in electrochemical theoretical (calculations) To: chemistry@ccl.net MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Dear CCLs: I would like to get some references of electrochemical calculations and who is working in this area. Does anyone can help me? Thanks in advance, Miguel A. Balderas _________________________________________________________ Do You Yahoo!? Construye tu página personal en Yahoo! GeoCities. ¡Es fácil, rápido y gratis! http://geocities.yahoo.com.mx