From chemistry-request@ccl.net Fri May 31 02:27:00 1991 Date: Fri, 31 May 91 13:55:39 +1000 From: apa@ccadfa.cc.adfa.oz.au (Alan P Arnold) To: chemistry@ccl.net Subject: Software for isoperibol calorimetric titrations ?? Status: R Does anyone have (or know the wherabouts of) software which will analyse the temperature vs time data that is produced from an isoperibol (constant heat loss?) calorimetric titration of a metal- ion and ligand mixture. I want to obtain deltaH's for the formation of metal-ligand complexes from the titration data. Fortran or Pascal code would be best (but I'm not that fussy). PS. public domain or *inexpensive* by e-mail or ftp would be great. Thanks, ---- Alan Arnold | Phone: +61 62 68 8080 Chem. Department,University College | ACSNET: apa@ccadfa.oz Australian Defence Force Academy | UUCP: ...!seismo!munnari!ccadfa.oz!lpb CANBERRA ACT 2600 Australia | ARPA: apa%ccadfa.oz@SEISMO.CSS.GOV From chemistry-request@ccl.net Fri May 31 16:13:39 1991 Date: Fri, 31 May 91 14:36:48 CDT From: perkins@tc4.chem.iastate.edu (Leslie S. Perkins) To: chemistry@ccl.net Status: R Alan, I am posting this for a colleague who is unable to send this message herself. The company that makes isoperibol titration calorimeters has a Fortran program designed to analyze data. Their address is Tronac 1167 North Industrial Park Road Orem, Utah USA 84057 Phone: (801) 224-1131 In the manual that accompanies the instrument is another reference that may be useful: D.J. Gatough, J.J. Christensen, R.M. Izatt, "Experiments in Thermodynamic Titrimetry & Titration Calorimetry", Brigham Young Univ. Press, Provo Utah (1974). In 1984, this reference said this book was available for $7.00 post paid from Tronac. The last reference that I have is D.J. Clevette & J.E. Bauman, "Interfacing a solution calorimeter with a Microcomputer" American Laboratory (June,1987) p 19-25. I would start by directly contacting Tronac. Mary Rottink Department of Chemistry Iowa State University INTERNET: mkrottin@iastate.edu Phone: (515) 294-7014 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Leslie S. Perkins Iowa State University 402 Wilhelm Hall Department of Chemistry - Ames Laboratory ISU perkins@tc4.chem.iastate.edu Ames,IA 50011 (515)294-9925 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% From chemistry-request@ccl.net Fri May 31 23:33:03 1991 Date: Sat, 1 Jun 1991 12:24:02 GMT From: B_DUKE@DARWIN.NTU.EDU.AU (Brian Duke) Subject: Is industry getting the graduates it wants? To: CHEMISTRY@ccl.net Status: R Dear Computational Chemistry List Subscriber, My colleague, Brian O'Leary from the Chemistry Department of the University of Alabama in Birmingham, and I are surveying university chemistry departments to determine the extent of teaching of computational chemistry at all levels. Our letter and questionaire is being sent to Chairmen or Heads of Chemistry Departments and to some individuals who we have identified as the most likely people to be able to reply. It was posted to this list about a week ago and it has also gone to sci.chem newsgroup. If you have not replied, please do so. If you need a copy of it please mail me. However the main purpose of this posting is wider. I have had responses from people in industry, saying we should ask what industry requires of computational chemistry graduates. A good idea, but I do not believe a formal survey is really possible. If you work in industry or a research lab where you recruit chemistry graduates with skills in computational chemistry, please mail me your ideas about the type and level of training these graduates should have. Please make it clear whether your remarks apply to graduates with a Batchelors degree, or a Masters degree or a Ph D. Are you getting the sort of people you want, or are there insufficient trained graduates? Do you have to employ people with a M Sc when you wanted someone with a Ph D? Can you train people further "in-house"? Do you have to? Any comments will be valuable. Thank you for your cooperation. 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