From jkl@ccl.net Mon Jun 10 01:33:27 1991 To: chemistry@ccl.net Subject: Postdoc position available Date: Mon, 10 Jun 91 01:36:39 EDT From: jkl@ccl.net Status: R I am redirecting this message to the list: > From DPJF@UTAHUSI.bitnet Fri Jun 7 16:01:43 1991 > Date: Fri, 07 Jun 91 13:51:54 GMT > From: Julio Facelli > Subject: Posible PostDoctoral position > To: chemistry-request@ccl.net Very likely there will be an opening for a PostDoctoral position in our NMR group to work on calculations of chemical shielding tensors using ab initio methods. Background in computational chemistry, with enphasis in ab intio methods, and programing experience in FORTRAN are required. Knowledge of modern high performance computing techniques such as vectorization and distributed computing will be a plus. Interested persons please send your C.V. and three letters of recomendation to Dr. Julio C. Facelli Associate Director Utah Supercomputing Institute 85 SSB, University of Utah Salt Lake City, Utah 84112 From chemistry-request@ccl.net Mon Jun 10 17:22:44 1991 Date: Mon, 10 Jun 91 16:54:58 EDT From: jyu@ampac2.qtp.ufl.edu.bikini (Jiangua Yu) To: CHEMISTRY@ccl.net Subject: Two electron integrals in HONDO program Status: R Who can give me a favor to tell me the printed two electron integrals in HONDO: format, unit,.... The two electron integrals my HONDO-8 program prints really confuse me. From chemistry-request@ccl.net Mon Jun 10 21:05:15 1991 Date: Mon, 10 Jun 91 17:40:13 -0700 From: Don Buchholz To: chemistry@ccl.net Subject: Database for Chemical Safety and Inventory wanted Status: R I was asked by our campus Safety Committee to find out what I could about chemical database/inventory tracking/MSDS systems. We are looking for a package (PD or commercial) that can be used to keep a database of all the chemicals on campus, what their location is, quantities, MSDS information, and could be accessed (for searching) by someone who is only marginally chemically literate (purchasing dept.). A rough estimate of the number of records we would have to support is 3000-5000. The operating system of choice is Unix. However, if you have information about packages that run under other OS's I'd be interested in hearing about them, too. Nice features would be a database that knew how to sort chemical names properly. The ability to search by molecular formula or CAS # would also be nice. One member of the committee suggested that we find a system that incorporates bar coding so we could use a barcode reader to inventory the labs periodically. Obviously, we won't find everything we want in a single package, but we are interested in learning about what other labs are using (especially university and other research-oriented labs) to track their chemical stores. Thanks in advance, Don Buchholz Oregon Graduate Institute buchholz@ese3.ese.ogi.edu From chemistry-request@ccl.net Mon Jun 10 23:37:04 1991 Date: Mon, 10 Jun 91 22:57:33 EST From: Shaun Black Subject: Chemical Safety/ MSDS database To: Don Buchholtz Status: R We keep an ASCII file of all chemicals in my lab by location with supplier, quantity, purchase date, and toxic properties. We add to the list when new items are acquired and delete from it when something is used up. Careful maintenance obviates the need for re-inventory-ing frequently. The simple ASCII file means that a mainframe, mini, or micro can keep it, that it can be searched by any text processor, and can be imported into various databases. MSDS are kept in a binder in my office with appropriate chemical safety references. Aldrich Chemical Company sells an almost exhaustive collection of MSDS and other safety information on CD-ROM. It's a bit pricey, but might serve your needs. Otherwise, Sigma Chemical has a 1-800 number that one can use to search for compounds, formulae, and cursory safety information via modem. Finally, my experience is that the best and most extensive safety programs are in the chemical industry. You may find Dow, Chlorox, Upjohn, Merck, Baker, etc. to be the best source of the information your looking for. =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= Shaun D. Black | Bitnet: black@ohstphrm.bitnet Ohio State University | Internet: black@ohstphrm.pharmacy.ohio-state.edu College of Pharmacy | Phone: (614) 292-3925 500 West 12th Avenue | FAX: (614) 292-2435 Columbus, OH 43210-1291 | :-) =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=