From chemistry-request@ccl.net Thu Mar 21 14:53:46 1991 Date: Thu, 21 Mar 91 08:01 CDT From: Subject: bond lengths by semiempirical methods To: chemistry@ccl.net Status: R The article in Journal of Computer-Aided Molecular Design by J. J. P. Stewart mentioned by John Bloor has also ap- peared as a book. It is published by Escom & costs about $50. Irene Newhouse From chemistry-request@ccl.net Thu Mar 21 15:06:29 1991 Date: 21 Mar 91 14:19 LCL From: PA13808%UTKVM1.BITNET@OHSTVMA.ACS.OHIO-STATE.EDU To: CHEMISTRY@ccl.net Subject: BITNET mail follows Status: R TOPIC WORKSTATION FOR AB INITIO CALCULATIONS WE HAVE A FACULTY MEMBER WHO WISHES TO PURCHASE A WORK STATION CAPABLE OF PERFORMING ROUTINE AB INITIO (H.F) CALCULATIONS ON SMALL ORGANICS. (HONDO,GAMESS OR GAUSSIAN). I WOULD WELCOME ADVICE ON WHAT MACHINE HE SHOULD GET. HE WANTS TO SPEND ABOUT 20-25 K AND CAN GET A SMALL IBM RISC 6000 FOR THIS MONEY IS THIS THE BEST THING HE COULD GET OR WOULD A DECSTATION BE BETTER,OR A SUN ETC. YOU CAN WRITE ME PRIVATELY AT BLOOR@UTKVX OR PA13808 AT UTKVM1(I PREFER THE CMS ADDRESS). THANKYOU