From dchin%emperor@harvard.harvard.edu Tue Sep 29 07:28:48 1992 Date: Tue, 29 Sep 92 11:28:48 -0400 From: dchin%emperor@harvard.harvard.edu (Donovan Chin) To: chemistry@ccl.net Subject: CDA News..... ....is appropriate for this list. When I was a graduate student in computational (polymer) chemistry, I found CDA News a valuable medium for well written articles in this field. There are many leading experts in the field from academic as well as industrial that contribute to CDA News. All deal with theory and application and not with any self-promotion. This publication has always been open to all, welcomes legitimate news from all sources, and treats everyone equally, regardless of affiliation. As an example, a few years ago leading computational chemistry software companies were asked to contribute their methods for force field parameterization. This was an extremely valuable set of articles for those new to the field and for those who have been around. CDA News is to the written media what this mailing list is to the electronic media. Useful to all computational chemists. Now, back to the chemistry. Regards, Donovan =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=--=-=-=-=-=-=-=-= Donovan Chin Ph.d Phone: 617.496.6820 Fax: 617.495.9857 Harvard University e-mail dchin@emperor.harvard.edu Department of Chemistry 12 Oxford St. Cambridge, MA 02138, USA =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=--=-=-=-=-=-=-=-= From hogue@mosquito.den.mmc.com Tue Sep 29 06:29:15 1992 Date: Tue, 29 Sep 92 12:29:15 MDT From: hogue@mosquito.den.mmc.com (Pat Hogue 1-2183) To: chemistry@ccl.net Subject: Molybdenum parameters for CNDO Can anyone out there send me the parameters for molyebdenum for insertion into CNDO? Thanks in advance. Pat Hogue, graduate student, Colorado School of Mines. From dchin%emperor@harvard.harvard.edu Tue Sep 29 10:24:44 1992 Date: Tue, 29 Sep 92 14:24:44 -0400 From: dchin%emperor@harvard.harvard.edu (Donovan Chin) To: chemistry@ccl.net Subject: CDA News.... ....is appropriate for this list. When I was a graduate student in computational (polymer) chemistry, I found CDA News a valuable medium for well written articles in this field. There are many leading experts in the field from academic as well as industrial that contribute to CDA News. All deal with theory and application and not with any self-promotion. This publication has always been open to all, welcomes legitimate news from all sources, and treats everyone equally, regardless of affiliation. As an example, a few years ago leading computational chemistry software companies were asked to contribute their methods for force field parameterization. This was an extremely valuable set of articles for those new to the field and for those who have been around. CDA News is to the written media what this mailing list is to the electronic media. Useful to all computational chemists. Now, back to the chemistry. Regards, Donovan =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=--=-=-=-=-=-=-=-= Donovan Chin Ph.d Phone: 617.496.6820 Fax: 617.495.9857 Harvard University e-mail dchin@emperor.harvard.edu Department of Chemistry 12 Oxford St. Cambridge, MA 02138, USA =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=--=-=-=-=-=-=-=-= From fisato@cpd.uva.es Tue Sep 29 19:40:51 1992 Date: Tue, 29 Sep 1992 19:40:51 UTC+0100 From: "Jose M. Lopez" Subject: DFT programs To: chemistry@ccl.net Dear netters: I would like to know about the availability of free/almost free/shareware/ freeware/etc DFT programs? Is there any place to look for it? (perhaps some FTP sites...) Please answer to Daniel Glossman fisato@cpd.uva.es Thanks in advance Dr. Daniel Glossman Universidad de Valladolid From zjtg05@nap.amoco.com Tue Sep 29 09:12:01 1992 Date: Tue, 29 Sep 1992 14:12:01 -0500 From: zjtg05@nap.amoco.com To: chemistry@ccl.net Subject: CDA I disagree with the comments slamming CDA and Barbra Graham. It is a timely and informative magazine dealing with issues of relevance to both academic and industrial chemists. I wholeheartedly recommend it; I do not think that you will find your time wasted. For example, very recently (I did not record the issue numbers), CDA published two articles on massively parallel supercomputing - first month by Geoffery Fox, the next month by Ray Bair and Thom Dunning. Any computational chemist should read both of them. :Joe jtgolab@nap.amoco.com From pollanen@csc.fi Tue Sep 29 23:44:07 1992 From: Raimo Pollanen Subject: I agree also sometimes commercial info is wellcome! To: chemistry@ccl.net Date: Tue, 29 Sep 1992 21:44:07 +0200 (EET) Hello I also think that it will be Ok if sometimes researchers also on this field get some data or info about newest products Yours Raimo Pollanen (M.Sc.) From B_DUKE@DARWIN.NTU.EDU.AU Wed Sep 30 12:31:32 1992 Date: Wed, 30 Sep 1992 12:31:32 GMT From: B_DUKE@DARWIN.NTU.EDU.AU (Brian Duke) Subject: CDA To: CHEMISTRY@ccl.net For those of us outside the USA, what is CDA? Brian Salter-Duke (Brian Duke) School of Chemistry and Earth Sciences, Northern Territory University GPO Box 40146, Casuarina, NT 0811, Australia. Phone 089-466702 FAX 089-410460 E-mail B_DUKE@DARWIN.NTU.EDU.AU