From aholder ^%at%^ cctr.umkc.edu Wed Mar 20 17:29:19 1996 Received: from axp2.umkc.edu for aholder "-at-" cctr.umkc.edu by www.ccl.net (8.7.1/950822.1) id QAA26402; Wed, 20 Mar 1996 16:36:50 -0500 (EST) Received: from andy.chem.umkc.edu (holder.chem.umkc.edu) by axp2.umkc.edu (MX V4.1 AXP) with SMTP; Wed, 20 Mar 1996 15:36:33 CST X-Mailer: InterCon TCP/Connect II 2.3.1 MIME-Version: 1.0 Message-ID: <9603201536.AA27234 \\at// andy.chem.umkc.edu> Date: Wed, 20 Mar 1996 15:36:27 -0500 From: "Andy Holder" To: chemistry-!at!-www.ccl.net Subject: ** Visit Semichem at ACS ** Content-Type: Multipart/Mixed;boundary=part_AD75D67B000223BD00000001 --part_AD75D67B000223BD00000001 Content-Type: Text/Plain; charset=US-ASCII Content-Disposition: Inline ********************************************************* * Come and Visit Semichem in Booth 1328 in New Orleans! * ********************************************************* Semichem will be showing AMPAC 5.1 with Graphical User Interface and our new QSAR offering, CODESSA. CODESSA is a state-of-the-art QSAR/QSPR program that will allow you to extract descriptor data directly from your AMPAC files. CODESSA also computes many of the popular topological and reactivity indices directly. CODESSA's statistical package automates correlation anal- ysis and allows speedy and meanigful interpretation and development of models to fit your specific needs. Spend your time thinking rather than doing time-consuming and tedious clerical tasks! Make the right choices the first time, integrating all of the knowledge available to you. AMPAC 5.1 with GUI has several new features including enhanced support for GAUSSIAN file formats and increased speed and robustness in the configuration interation (CI), geometry optimization and SCF convergence sections. Also, AMPAC includes the SAM1 semiempirical method, which explicitly treats d-orbitals. Current parameter sets for SAM1 include the transition metals Cu and Fe. Ni, Ti, and Zn are slated for release in the near future. =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= DR. ANDREW HOLDER President Semichem, Inc. || Internet Addr: aholder*- at -*cctr.umkc.edu 7128 Summit || Phone Number: (913) 268-3271 Shawnee, KS, 66216 || FAX Number: (913) 268-3445 =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= --part_AD75D67B000223BD00000001--