From owner-chemistry@ccl.net Fri Jul 19 10:15:04 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id JAA01027; Fri, 19 Jul 1996 09:18:03 -0400 (EDT) Received: from theory.tc.cornell.edu for donna@tc.cornell.edu by bedrock.ccl.net (8.7.5/950822.1) id JAA06163; Fri, 19 Jul 1996 09:18:01 -0400 (EDT) Received: from [128.84.181.77] (MUTSU.TC.CORNELL.EDU [128.84.181.77]) by theory.tc.cornell.edu (8.6.9/8.6.6) with SMTP id JAA75434; Fri, 19 Jul 1996 09:17:34 -0400 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Date: Fri, 19 Jul 1996 09:20:14 -0400 To: chemistry@www.ccl.net, DIBUG@comp.bioz.unibas.ch, listproc%msi.com.charmm-bbs-request@emperor.harvard.edu, chem-com@mailbase.ac.uk, chemistry@ccl.net From: donna@TC.Cornell.EDU (Donna Smith) Subject: Structural Biology Symposium CORNELL THEORY CENTER SYMPOSIUM Structural Biology October 18, 1996 700 Clark Hall Cornell University campus Sponsored by NIH's National Center for Research Resources Speakers: David Thirumalai, University of Maryland Ronald Levy, Rutgers University William Jorgensen, Yale University Bernard Brooks, National Institutes of Health Jos=E9 Onuchic, University of California at San Diego Enrico Clementi, Universit=E9 L. Pasteur Charles Brooks, Scripps Research Institute Poster & Video Theatre, to apply send a short abstract to, donna@tc.cornell.= edu. Symposium is free of charge. =46or registration information, contact donna@tc.cornell.edu or, http://www.tc.cornell.edu/Events ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Donna Smith, Cornell Theory Center, Rhodes Hall, Ithaca, NY 14853 phone 607-254-8614, fax 607-254-8888 From donna@tc.cornell.edu Fri Jul 19 11:06:09 1996 Received: from theory.tc.cornell.edu for donna@tc.cornell.edu by www.ccl.net (8.7.5/950822.1) id JAA01020; Fri, 19 Jul 1996 09:17:41 -0400 (EDT) Received: from [128.84.181.77] (MUTSU.TC.CORNELL.EDU [128.84.181.77]) by theory.tc.cornell.edu (8.6.9/8.6.6) with SMTP id JAA75434; Fri, 19 Jul 1996 09:17:34 -0400 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Date: Fri, 19 Jul 1996 09:20:14 -0400 To: chemistry@www.ccl.net, DIBUG@comp.bioz.unibas.ch, listproc%msi.com.charmm-bbs-request@emperor.harvard.edu, chem-com@mailbase.ac.uk, chemistry@ccl.net From: donna@TC.Cornell.EDU (Donna Smith) Subject: Structural Biology Symposium CORNELL THEORY CENTER SYMPOSIUM Structural Biology October 18, 1996 700 Clark Hall Cornell University campus Sponsored by NIH's National Center for Research Resources Speakers: David Thirumalai, University of Maryland Ronald Levy, Rutgers University William Jorgensen, Yale University Bernard Brooks, National Institutes of Health Jos=E9 Onuchic, University of California at San Diego Enrico Clementi, Universit=E9 L. Pasteur Charles Brooks, Scripps Research Institute Poster & Video Theatre, to apply send a short abstract to, donna@tc.cornell.= edu. Symposium is free of charge. =46or registration information, contact donna@tc.cornell.edu or, http://www.tc.cornell.edu/Events ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Donna Smith, Cornell Theory Center, Rhodes Hall, Ithaca, NY 14853 phone 607-254-8614, fax 607-254-8888 From analyt.chem.msu.su!pletnev@analyt.chem.msu.su Fri Jul 19 11:13:10 1996 Received: from mch.chem.msu.su for analyt.chem.msu.su!pletnev@analyt.chem.msu.su by www.ccl.net (8.7.5/950822.1) id JAA01205; Fri, 19 Jul 1996 09:48:28 -0400 (EDT) Received: from analyt.UUCP (uuanalyt@localhost) by mch.chem.msu.su (8.6.5/8.6.9) with UUCP id RAA14193 for CHEMISTRY@www.ccl.net; Fri, 19 Jul 1996 17:47:04 +0400 Received: by analyt.chem.msu.su (UUPC/@ v5.00, 25Nov92); Thu, 18 Jul 1996 17:47:18 +0400 To: CHEMISTRY@www.ccl.net Message-Id: Organization: Analytical Chem. Chair From: "Igor V. Pletnev" Date: Thu, 18 Jul 96 17:47:17 +0400 X-Mailer: BML [MS/DOS Beauty Mail v.1.36] Subject: SUMMARY on CHARMM for oligosaccharides Lines: 42 Dear all, Ten days ago I have asked on CHARMM parameters for oligosaccharides. There were two replies (and two requests for summary). 1) Peter Grootenhuis pointed to his CHEAT-force field in which the Carbohydrate Hydroxyls are represented by Extended AToms. The force field is based on CHARMm and includes the anomeric effect. The reference is: M.L.C.E. Kouwijzer & P.D.J. Grootenhuis, J. Phys. Chem 99, 13426-13436 (1995). The force field parameters can be obtained at URL: http://www.biosym.com/support/life/quanta/cheat95.html [- NB: I failed to get them through my e-mail interface to WWW] 2) Mark J. Forster indicated the recent publication - Force field parameters for carbohydrates by S.Reiling, M.Schlenkrich and J.Brinkmann in J. Comp. Chem. vol 17, 450-468 (1996). Many thanks to Peter and Mark! Best wishes, Igor ========================================================= Dr. Igor V. Pletnev pletnev@analyt.chem.msu.su Chem.Dept., Lomonosov Moscow State Univ. 119899 GSP-3 Moscow, Russia ========================================================== From owner-chemistry@ccl.net Fri Jul 19 13:15:10 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id MAA02083; Fri, 19 Jul 1996 12:56:16 -0400 (EDT) Received: from amelia.brynmawr.edu for mfrancl@brynmawr.edu by bedrock.ccl.net (8.7.5/950822.1) id MAA11250; Fri, 19 Jul 1996 12:56:14 -0400 (EDT) Received: from [165.106.10.44] (mpmac4.brynmawr.edu [165.106.10.44]) by amelia.brynmawr.edu (8.6.12/8.6.12) with SMTP id MAA08468 for ; Fri, 19 Jul 1996 12:53:58 -0400 Date: Fri, 19 Jul 1996 12:53:58 -0400 Message-Id: <199607191653.MAA08468@amelia.brynmawr.edu> To: chemistry@ccl.net From: mfrancl@brynmawr.edu (Michelle M Francl) X-Sender: mfrancl@ada.brynmawr.edu Subject: ballots for ACS COMP division For members of the Computers in Chemistry Divison of the American Chemical Society: The message from the secretary in your latest newsletter/abstracts says that ballots for divisional officer elections must be postmarked by July 15. The date has been changed to August 10, due to the late mailing of the election materials. If you are not already a member of COMP and would like further information, you can consult the division website at http://hackberry.chem.niu.edu/COMP/ Michelle Francl secretary, COMP From unipune.ernet.in!sakul@iucaa.ernet.in Fri Jul 19 16:15:09 1996 Received: from sangam.ncst.ernet.in for unipune.ernet.in!sakul@iucaa.ernet.in by www.ccl.net (8.7.5/950822.1) id PAA03019; Fri, 19 Jul 1996 15:56:48 -0400 (EDT) Received: from iucaa.UUCP (uucp@localhost) by sangam.ncst.ernet.in (8.6.12/8.6.6) with UUCP id BAA07422 for CHEMISTRY@www.ccl.net; Sat, 20 Jul 1996 01:30:19 +0530 Received: from unipune.ernet.in by iucaa (4.1/SMI-4.1) id AA01612; Fri, 19 Jul 96 18:46:53+050 Received: by unipune.ernet.in (5.0/SMI-SVR4.1.0) id AA08224; Fri, 19 Jul 1996 18:31:03 +0500 Date: Fri, 19 Jul 1996 18:31:03 +0500 From: sakul@unipune.ernet.in (Faculty - Chemistry Department) Message-Id: <9607192331.AA08224@unipune.ernet.in> To: CHEMISTRY@www.ccl.net Subject: Aromaticity Cc: sakul@unipune.ernet.in Dear Sirs : We will be grateful to know some recent references to works on Aromaticity. Thank you very much..................C.H.Suresh. July 20, 1996. From PHogue@space.honeywell.com Fri Jul 19 18:15:09 1996 Received: from fl51mail.space.honeywell.com for PHogue@space.honeywell.com by www.ccl.net (8.7.5/950822.1) id RAA03423; Fri, 19 Jul 1996 17:36:40 -0400 (EDT) Received: from fl51m03.space.honeywell.com by fl51mail.space.honeywell.com with SMTP (1.38.193.5/16.2) id AA19980; Fri, 19 Jul 1996 17:42:32 -0400 Received: by fl51m03.space.honeywell.com with Microsoft Exchange (IMC 4.0.838.14) id <01BB7599.2FD73660@fl51m03.space.honeywell.com>; Fri, 19 Jul 1996 17:39:07 -0400 Message-Id: From: "Hogue, Pat (AZ76)" To: CCL Subject: Tin Whiskers Date: Fri, 19 Jul 1996 14:36:00 -0400 X-Mailer: Microsoft Exchange Server Internet Mail Connector Version 4.0.838.14 Encoding: 14 TEXT Dear CCL'ers: Is there any programs out there that calculate thermodynamic properties? Here is a problem I am up against. Electroplated pure tin as used on electrical devices is prone to the phenomenon called "tin whiskers" which are uniform solid rods projecting from the plated surface for up to 0.25 inches and are usually 1 to 5 microns in diameter. Pure electroplated tin consists of the white (beta tetragonal) form. Below 18 degrees C tin reverts to the grey (alpha diamond) structure. The only explanation for this behavior that I can find is the anomalously low entropy of fusion for white tin that is shown in the second edition of Richard Swalin's book Thermodynamics of Solids (page 81). Any suggestions are welcomed.