From DSMITH@uoft02.utoledo.edu Sun Jul 11 05:54:31 1993 Date: Sun, 11 Jul 1993 10:54:31 -0500 (EST) From: "DR. DOUGLAS A. SMITH, UNIVERSITY OF TOLEDO" Subject: BAC-MP4 To: chemistry@ccl.net Message-Id: <01H0EWHCPKNG000AVS@UOFT02.UTOLEDO.EDU> E. M. Evleth posted an informative and useful reply to the BAC-MP4 question. This program of Carl Melius' sounds interesting, as does the entire project. It sounds much like what Lou Allinger and Jan Labanowski have been doing recently as well. Could any of the principles on either side provide a comparison of the two approaches and their results? Doug Douglas A. Smith Assistant Professor of Chemistry The University of Toledo Toledo, OH 43606-3390 voice 419-537-2116 fax 419-537-4033 email dsmith@uoft02.utoledo.edu From DSMITH@uoft02.utoledo.edu Sun Jul 11 05:59:10 1993 Date: Sun, 11 Jul 1993 10:59:10 -0500 (EST) From: "DR. DOUGLAS A. SMITH, UNIVERSITY OF TOLEDO" Subject: hydrogen bonding - reviewers needed To: chemistry@ccl.net, mmodinfo@uoft02.utoledo.edu, hyperchem@autodesk.com Message-Id: <01H0EWJX1G6A000AVS@UOFT02.UTOLEDO.EDU> I am chairing a two-day symposium on Modeling the Hydrogen Bond at the ACS Chicago meeting, and the ACS has agreed to publish the procedings as part of their Symposia-in-Print series. I will edit the book, and will need to find reviewers for the articles to be included. So.... Anyone who is interested in possibly acting as a reviewer for one or more chapters in this book, which will be on theoretical and computational methods for modeling hydrogen bonding (primarily in non-biological systems), please send me your name, address, telephone and fax numbers, and your area of interest/expertise. The chapters will be sent for review right around the first of September, 1993, and will be due back within about 3-4 weeks. No chapter will be longer than 14 pages in the final, camera ready book. Doug Douglas A. Smith Assistant Professor of Chemistry The University of Toledo Toledo, OH 43606-3390 voice 419-537-2116 fax 419-537-4033 email dsmith@uoft02.utoledo.edu From mercie@cumc.cornell.edu Sun Jul 11 17:48:40 1993 Date: Sun, 11 Jul 1993 21:48:40 -0400 (EDT) From: Gustavo Mercier Subject: getting newest version of HONDO To: chemistry@ccl.net Message-Id: Hi! Does anybody know how to request the newest version of HONDO (8.4?). Mail to "michel@kgnvmt.vnet.ibm.com" did not receive a reply, and "michel@kgnvma.vnet.ibm.com" gave an error consistent with "wrong address". To the best of my knowledge QCPE only carries version 7. gus mercie@cumc.cornell.edu