From parkbw@bushbaby.alfred.edu Thu Jul 11 03:13:20 1996 Received: from EDISON.ALFRED.EDU for parkbw@bushbaby.alfred.edu by www.ccl.net (8.7.5/950822.1) id CAA07075; Thu, 11 Jul 1996 02:17:31 -0400 (EDT) Received: from bushbaby.alfred.edu by maxvax.alfred.edu (MX V4.2 VAX) with SMTP; Thu, 11 Jul 1996 02:17:31 EDT Received: from localhost by bushbaby.alfred.edu via SMTP (940816.SGI.8.6.9/920502.SGI.AUTO) for id CAA10931; Thu, 11 Jul 1996 02:17:24 -0400 Date: Thu, 11 Jul 1996 02:17:22 -0400 (EDT) From: Byeongwon PARK To: chemistry@www.ccl.net Subject: looking for ring size distibution calculation software Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear, I am looking for small program to calculate ring size distribution in glass structure generated by MD simulation. Please let me know if you have one. Thank you in advance. __________________________________________________________________ / | \ |Byeongwon Park | E-mail) parkbw@bushbaby.alfred.edu | |Graduate Student | parkb@xray.alfred.edu | |NYS College of Ceramics| Phone) 607-871-2180(O) | |Alfred University | | |Alfred NY 14802 | WWW) http://bison.alfred.edu:80/~parkbw| \_______________________|__________________________________________/ From smb@smb.chem.niu.edu Thu Jul 11 12:13:35 1996 Received: from mp.cs.niu.edu for smb@smb.chem.niu.edu by www.ccl.net (8.7.5/950822.1) id MAA09976; Thu, 11 Jul 1996 12:03:02 -0400 (EDT) Received: from cz2.chem.niu.edu by mp.cs.niu.edu with SMTP id AA03813 (5.67b/IDA-1.5 for <@mp.cs.niu.edu.chem.niu.edu:CHEMISTRY@www.ccl.net>); Thu, 11 Jul 1996 11:02:57 -0500 Received: from smb.chem.niu.edu by cz2.chem.niu.edu via SMTP (920330.SGI/890607.SGI) (for @mp.cs.niu.edu.chem.niu.edu:CHEMISTRY@www.ccl.net) id AA23414; Thu, 11 Jul 96 07:41:49 -0500 Received: by smb.chem.niu.edu (920330.SGI/890607.SGI) (for @cz2.chem.niu.edu:CHEMISTRY@www.ccl.net) id AA21645; Thu, 11 Jul 96 07:41:48 -0500 Date: Thu, 11 Jul 96 07:41:48 -0500 From: smb@smb.chem.niu.edu (Steven Bachrach) Message-Id: <9607111241.AA21645@smb.chem.niu.edu> To: CHEMISTRY@www.ccl.net Subject: Pre-Announcement for ECCC-3 The Third Electronic Computational Chemistry Conference (ECCC-3) will be held for the month of November, 1996. As was done in the past two e-conferences ECCC- will be held on the Internet, making use of the WWW to dissminate the papers, posters, and discussions. A full announcement will follow in the near future. We are currently forming the Scientific organizing Committee and discussing the publication options for the proceedings. Tentative deadlines are the end of September 1996 for the submission of abstract and the end of October for submission of the papers. Questions and comments can be directed to me. Look for the Final announcment by the end of July and the official web site for ECCC-3 soon thereafter. We hope to continue on the pioneering concepts of the previous conferences and create a unique conferencing environment that will be enjoyable and amenable to the science. Sincerely, Steven Bachrach, Organizer of ECCC-3 Steven Bachrach Department of Chemistry Northern Illinois University DeKalb, Il 60115 Phone: (815)753-6863 smb@smb.chem.niu.edu Fax: (815)753-4802 From phogue@space.honeywell.com Thu Jul 11 16:28:30 1996 Received: from SSOVAX.SSO.AZ.HONEYWELL.COM for phogue@space.honeywell.com by www.ccl.net (8.7.5/950822.1) id PAA12338; Thu, 11 Jul 1996 15:23:54 -0400 (EDT) Received: from PHogue.sso.az.honeywell.com by SSOVAX.SSO.AZ.HONEYWELL.COM with SMTP; Thu, 11 Jul 1996 12:08:14 -0700 (MST) Message-ID: <31E5571D.35A2@space.honeywell.com> Date: Thu, 11 Jul 1996 12:33:49 -0700 From: Patrick Hogue Organization: Materials and Processes X-Mailer: Mozilla 2.01 (Win16; U) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: Polymer Chemistry Programs X-URL: http://www.ccl.net/ccl/welcome.html#1 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Does anyone know if there are any programs out there to predict things like solubility, glass transition temperature, cure kinetics, viscoelastic behavior, etc. of polmers of commercial interest (e.g., epoxy, polyimide, polyurethane, silicone, etc). From pcm@usmps550.psrc.usm.edu Thu Jul 11 18:13:34 1996 Received: from usmps550.psrc.usm.edu for pcm@usmps550.psrc.usm.edu by www.ccl.net (8.7.5/950822.1) id RAA13128; Thu, 11 Jul 1996 17:19:22 -0400 (EDT) Received: by usmps550.psrc.usm.edu (AIX 4.1/UCB 5.64/4.03) id AA12046; Thu, 11 Jul 1996 16:17:20 -0500 From: pcm@usmps550.psrc.usm.edu (Phillipe Camelio) Message-Id: <9607112117.AA12046@usmps550.psrc.usm.edu> Subject: Re:CCL Polymer Chemistry Programs To: chemistry@www.ccl.net Date: Thu, 11 Jul 1996 16:17:20 +22324924 (CDT) X-Mailer: ELM [version 2.4 PL5] Content-Type: text Hi, There is 2 programs included in InsightII (MSI) (separated license) 1/ QSPR : based on Van Krevelen Approach (i.e. Group Additve) 2/ Synthia : based on topology of the monomer structure (Bicerano) For more details : @book{Bicerano1, author = {J. Bicerano}, title = {Computational Modeling of Polymers}, year = {1992}, publisher = {M. Dekker, Inc.}, address = {New--York}, note = {ISBN--0824784383}, } @book{Krevelen1, author = {D.W. van~Krevelen}, title = {Properties of Polymers: Their Correlation with Chemical Structure; Their Numerical Estimation and Prediction from Additive Group Contributions}; year = {1990}, publisher = {Elsevier}, address = {Amsterdam; New--York}, edition = {3rd}, note = {ISBN--0444881603}, } Rem : a more recent version of Bicerano Book exists (1996) or will be available for the end of the year Philippe Camelio Lab. de Stereochimie, Marseille, France E-mail: sophie@ms532u02.u-3mrs.fr WWW : http://www.u-3mrs.fr/people/PCamelio From fgonzale@lauca.usach.cl Thu Jul 11 20:13:28 1996 Received: from ralun.usach.cl for fgonzale@lauca.usach.cl by www.ccl.net (8.7.5/950822.1) id TAA13521; Thu, 11 Jul 1996 19:27:51 -0400 (EDT) Received: from lauca.usach.cl (lauca.usach.cl [158.170.64.28]) by ralun.usach.cl (8.6.11/8.6.9) with ESMTP id UAA05159 for ; Sat, 11 Jul 1992 20:31:47 -0500 Received: (from fgonzale@localhost) by lauca.usach.cl (8.6.12/8.6.12) id TAA26152; Thu, 11 Jul 1996 19:31:59 -0400 From: Fdo Danilo Gonzalez Nilo Message-Id: <199607112331.TAA26152@lauca.usach.cl> Subject: ATOMIC FORCE MICROSCOPY To: chemistry@www.ccl.net Date: Thu, 11 Jul 96 19:31:58 AST Cc: aaspee@lauca.usach.cl -- ************************************************************************* Fernando Danilo Gonzalez N. Universidad de Santiago de Chile Facultad de Quimica y Biologia Casilla 307, Santiago-2, Chile fono: 681 2575 E-mail : fgonzale@lauca.usach.cl fax : (562) 681 2108 danilo@quantum.usach.cl URL : http://quantum.usach.cl/~danilo *************************************************************************x