From chemistry-request[ AT ]server.ccl.net Tue Feb 13 10:34:24 2001 Received: from interlock.herc.com (interlock.herc.com [199.221.7.2]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f1DFYMw21439 for ; Tue, 13 Feb 2001 10:34:23 -0500 Received: from csdnsg1.herc.com ([147.116.14.51]) by interlock.herc.com with SMTP id KAA14308 (InterLock SMTP Gateway for ); Tue, 13 Feb 2001 10:34:07 -0500 Subject: polymer structures To: chemistry.,at,.ccl.net Cc: X-Mailer: Lotus Notes Release 5.0.2b December 16, 1999 Message-Id: From: Goutam.Das-: at :-betzdearborn.com Date: Tue, 13 Feb 2001 09:32:35 -0600 X-Priority: 3 (Normal) X-Mimetrack: Serialize by Router on CSDNSG1/Servers/Herc(Release 5.0.1b|September 30, 1999) at 02/13/2001 10:21:06 AM Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Dear CCL'ers Could anyone of you send me pointers on calculated structures of EVA copolymers, polyalkyl acrylates/methacrylates, Ethylyne, vinyl acetate, isobutylene terpolymers. Do they exist at all in litera ture? I did find some studies on poly alkyl acrylates but that is all. What is the best way (level of theory, etc) to calculate the structure of a "unit cell" of e.g. Polyoctadecyl acrylate? Thanks in anticipation Goutam Das Staff Scientist BetzDearborn Division of Hercules The Woodlands, TX 77380 281.367.6201 ext 425