========================================================================= Date: Sun, 6 Jun 1993 19:00:19 EDT From: "Frank M. Lanzafame" Subject: Computer-generated graphical problem sets for students The software accompanying Paper 6 is in place and available by anonymous FTP. Those interested in this area and in getting a chance to examine the program before the Conference may pick up a copy IF your system has anonymous FTP capability. FTP: info.umd.edu Path: info/Teaching/ChemConference/Paper6 For MS DOS users, PGEN10ZP.EXE is a BINARY self-extracting ZIPPED file containing a copy of Paper6, a compiled EXE version of the program as well as the QuickBasic ascii source code. Be sure to use the BINARY command before getting the file. Without setting the BINARY file transfer capability, the copy you receive will not function. You must also set binary file transfer protocols in transferring to your pc. For non-MS DOS users, there are also ASCII versions of the source code, but since the program runs under MS DOS or QuickBasic, it will probably be of limited use. ----------------------------------------------------------- | Frank M. Lanzafame Department of Chemistry | | Monroe Community College 1000 East Henrietta Rd. | | Rochester, NY 14623 (716) 292-2000 Ext. 5130 | | Internet: flanzafame@eckert.acadcomp.monroecc.edu | ----------------------------------------------------------- ========================================================================= Date: Tue, 8 Jun 1993 20:31:00 EDT From: to2 Subject: Schedule of Papers APPLICATIONS OF TECHNOLOGY IN TEACHING CHEMISTRY An On-Line Computer Conference June 14 TO August 20, 1993 Sponsored by the American Chemical Society Division of Chemical Education's Committee on Computers in Chemical Education TECHNICAL PROGRAM 1. The Use of Computers in a Junior-Level Analytical Chemistry - Physical Chemistry Laboratory Course Donald Rosenthal, Department of Chemistry, Clarkson University, Potsdam NY 13699 (ROSEN1@CLVM.BITNET) June 14 - Short questions June 21 through June 22 - Discussion 2. For LANS Sake: Suggestions for the Use of Networked Computers in Chemical Education B. James Hood, Dept. of Chemistry & Physics, Middle Tennessee State University; bjhood@knuth.mtsu.edu (INTERNET) or PrfJimHood (America Online) June 15 - Short questions June 23 through June 24 - Discussion 3. Visualizing Chemical Reactions John P. Ranck, Elizabethtown College, Department of Chemistry, Elizabethtown, PA 17022-2298; Internet: ranck@vax.etown.edu June 16 - Short questions June 25 through June 28 - Discussion 4. Cultural Differences Reflected by an Integrated Media Chemistry Course - An American/Israeli Perspective *Nava Ben-Zvi, **William S. Harwood, *Ahuva Leopold, **Lisa L. Ragsdale, *Hebrew University, Jerusalem, Israel 91904, **University of Maryland, College Park, Maryland 20742 (201226@UMDD.UMD.EDU) June 17 - Short questions June 29 through June 30 - Discussion 5. It's How You Play the Game: Design of an Electronic Assistant for Organic Qualitative Analysis Joyce C. Brockwell, Northwestern University, Department of Chemistry 2145 Sheridan Road, Evanston IL 60208-3113 (jcb@nwu.edu) June 18 - Short questions July 1 through July 2 - Discussion 6. Individual Computer-Generated Graphical Problem Sets Frank M. Lanzafame, Monroe Community College, Chemistry Dept., 1000 East Henrietta Rd., Rochester, NY 14623Voice: Internet: FLANZAFAME@ECKERT.ACADCOMP.MONROECC.EDU July 5 - Short questions July 12 through July 13 - Discussion 7. Integrating Computers into the High School Chemistry Classroom William J.Sondgerath, Chemistry Teacher at Harrison High School West Lafayette, Indiana, (BSONDGER@VM.CC.PURDUE.EDU) July 6 - Short questions July 14 through July 15 - Discussion 8. Using the Airwaves: A Satellite M. S. for Industrial Chemists Keith J.Schray, N.D. Heindel, J. E. Brown, and M. A. Kercsmar, Department of chemistry and office of distance education Lehigh University., Bethlehem, Pa, 18015 (kjs0@Lehigh.EDU) July 7 - Short questions July 16 through July 19 - Discussion 9. Staff Development is the Biggest Cost in Computing David W. Brooks, Center for Curriculum and Instruction, University of Nebraska-Lincoln, Lincoln, Nebraska 68588-0355. (dbrooks@unlinfo.unl.edu) July 8 - Short questions July 20 through July 21 - Discussion 10. Personal Computers in Teaching Physical Chemistry A.A.Kubasov, V.S.Lyutsarev, K.V.Ermakov, Chemical Faculty of Moscow State University, Moscow, Russian Republic. (LASER@mch.chem.msu.su) July 9 - Short questions July 22 through July 23 - Discussion 11. Applications of Networked Computers and Electronic Mail in a Chemistry Course for Nonscience Students Carl H. Snyder, Chemistry Department, University of Miami, Coral Gables, FL 33124 (CSNYDER@umiami.ir.miami.edu), and James Shelley, Academic and Research Systems, Information Resources,University of Miami, Coral Gables, FL 33124 (JSHELLEY@umiami.ir.miami.edu) July 26 - Short questions Aug. 2 through Aug. 3 - Discussion 12. The Computer Co-Op: Teaching Organic Chemistry on a Conference in an Interdisciplinary Macintosh Lab Carolyn Sweeney Judd, M.A. (cjudd@tenet.edu), Faculty, Chemistry, and Robert G. Ford, Ph.D., Faculty, English, Central College, Houston Community College System, 1300 Holman Houston TX 77004 July 27 - Short questions Aug. 4 through Aug. 5 - Discussion 13. Finite Difference Solution of the Diffusion Equation in a Spreadsheet Douglas A. Coe, Montana College of Mineral Science and Technology, Butte, MT 59701 (DACOE@MTVMS2.MTECH.EDU) July 28 - Short questions Aug. 6 through Aug. 9 - Discussion 14. CHEMULATE! A Simulator of UV/Vis Kinetics Experiments for the Macintosh Richard S. Moog, Franklin and Marshall College (R_Moog@acad.fandm.edu) July 29 - Short questions Aug. 10 through Aug. 11 - Discussion 15. Menu Driven Programming for Students and Teachers Reed Howald, Department of Chemistry and Biochemistry, Montana State University Bozeman, MT 59717 (uchrh%planet.dnet@terra.oscs.montana.edu) July 30 - Short questions Aug. 12 through Aug. 13 - Discussion General discussion: August 16 through 20 Evaluation: Aug. 20 Deadline for return of Evaluation Form to to2@UMAIL.UMD.EDU ----------------------------- You may obtain any or all of these papers either by e-mail or by anonymous FTP. To have papers sent to you by e-mail, send an e-mail message to listserv@umdd.umd.edu or to listserv@umdd.bitnet, in which the message body contains one or more of the following lines: GET PAPER1 TEXT GET PAPER2 TEXT GET PAPER3 TEXT and so on, for each paper you want, with each item listed on a separate line. Request only the papers you are interested in reading. Depending on the network load, the material will be mailed to you within a few minutes or hours. For Internet users, the papers can be obtained by Telnet or by anonymous FTP from: Host: info.umd.edu Path: info/Teaching/ChemConference Papers with associated figures or files are placed in separate sub- directories (e.g. Paper1). Files with a ".txt", ".hqx", or ".UUE" extension are ASCII text files that must be transferred in ASCII (text) mode. Files with a ".GIF" extension are graphics files (figures) that must be transferred in binary mode and viewed with a GIF viewer. For example, Paper1Figure1.GIF is Figure 1 of Paper 1. Files with other extensions (".ZIP", etc) are generally binary files that must be transferred in binary mode. MAKE SURE YOU SET THE MODE before you begin the transfer. (Binary files downloaded in text mode will not be usable). Refer to the author's paper for information on how to use the associated files. Papers 1-3, 5-9, and 12-15 are avaiable now. The other papers will be made available as soon as they are received from the authors. Short questions on Paper1 begines June 14. If you wish to contact the author of a paper before that time, please send the message to the author's personal e-mail address listed above, not to the CHEMCONF list address. Prof. Thomas C. O'Haver, CHEMCONF organizer Department of Chemistry and Biochemistry University of Maryland College Park, MD 20742 Internet: to2@umail.umd.edu ========================================================================= Date: Thu, 10 Jun 1993 06:29:00 EDT From: to2 Subject: Customized software ON-LINE TEXT AND GIF FILE VIEWER CUSTOMIZED FOR CHEMCONF PARTICIPANTS We now have special software that will allow some CHEMCONF participants to quickly and simply log onto the conference FTP site and to brouse through the papers and GIF figures WHILE ON-LINE, thus avoiding the complex multi-step process usually required to download, convert, and view the papers and figures. The software is pre-configured to log on to the CHEMCONF subdirectory on info.umd.edu, and it is set to recognize the figures (binary ".gif" files) and to display them automatically. Currently this software is available only for networked Macintosh systems with MacTCP. See info.umd.edu info/Teaching/ChemConference/Software/Macintosh/Fetch2.1.ReadMe for more information. Tom O'Haver CHEMCONF organizer to2@umail.umd.edu ========================================================================= Date: Mon, 14 Jun 1993 06:44:00 EDT From: to2 Subject: Welcome to CHEMCONF '93! To: ALL CHEMCONF '93 PARTICIPANTS From: Thomas O'Haver Conference Organizer and Manager 301-405-1831 TO2@UMAIL.UMD.EDU and Donald Rosenthal Chair, ACS Division of Chemical Education's Committee on Computers in Chemical Education 315-265-9242 ROSEN@CLVM.BITNET Re: WELCOME TO CHEMCONF '93 Date: Monday, June 14, 1993 On behalf of the ACS Division of Chemical Education's Committee on Computers in Chemical Education, we welcome you to CHEMCONF '93 and declare this conference officially open. There are currently 452 participants from 31 nations signed up for this conference. We hope you will all enjoy and actively participate in this historic experiment. The topic for today (Monday, June 14) is short questions on paper 1, "The Use of Computers in a Junior-Level Analytical Chemistry - Physical Chemistry Laboratory Course" by Donald Rosenthal. The schedule for the remainder of Session 1 is as follows. Session 1 (Papers 1 to 5) June 14 - Short questions on Paper 1 (Rosenthal) June 15 - Short questions on Paper 2 (Hood) June 16 - Short questions on Paper 3 (Ranck) June 17 - Short questions on Paper 4 (Ben-Zvi) June 18 - Short questions on Paper 5 (Brockwell) June 21 through June 22 - Discussion of paper 1 (Rosenthal) June 23 through June 24 - Discussion of paper 2 (Hood) June 25 through June 28 - Discussion of paper 3 (Ranck) June 29 through June 30 - Discussion of paper 4 (Ben-Zvi) July 1 through July 2 - Discussion of paper 5 (Brockwell) For Internet users, the conference files and software are available by telnet or by anonymous FTP from: Host: info.umd.edu Path: info/Teaching/ChemConference The text materials can also be obtained by e-mail. Send an e-mail message to LISTSERV@UMDD.UMD.EDU or LISTSERV@UMDD.BITNET in which the message body contains one or more of the following lines: GET SUMR93 TITLES GET SUMR93 SCHEDULE GET SUMR93 ABSTRACT GET CHEMCONF WELCOME GET PAPER1 TEXT GET PAPER2 TEXT etc. -------------------------- ========================================================================= Date: Mon, 14 Jun 1993 06:53:00 EDT From: to2 Subject: Please save this message To: ALL CHEMCONF '93 PARTICIPANTS From: Thomas O'Haver Conference Organizer and Manager 301-405-1831 TO2@UMAIL.UMD.EDU and Donald Rosenthal Chair, ACS Division of Chemical Education's Committee on Computers in Chemical Education 315-265-9242 ROSEN@CLVM.BITNET Re: EVALUATION OF THE COMPUTER CONFERENCE Date: June 14, 1993 A conference evaluation form is appended. Please read it before the meeting. We view the Conference evaluation process to be as important as the Conference itself. We would appreciate knowing the extent to which you participated, what you liked and didn't like, and what suggestions you may have for future meetings. Please fill out the form and return it AFTER the conference. ------------------------------------------------------------------------ EVALUATION FORM FOR CHEMCONF '93 1. NAME ________________________________ DATE _________________________ 2. ADDRESS AT WORK _____________________________________________________ _____________________________________________________ _____________________________________________________ 3. TITLE AT WORK ______________________ (e.g. Professor, Teacher, etc.) 4. ELECTRONIC MAIL ADDRESS ________________ 5. DO YOU HAVE ACCESS TO INTERNET? _________ 6. COURSES YOU TEACH ___________________________________________________ 7. COMPUTER EXPERTISE ______ (1 to 5) 1 Beginner, 3 Average, 5 Expert 8. FACILITY USING ELECTRONIC MAIL ______ (On scale from 1 to 5) 9. Hardware used for e-mail ____________________________________________ ------------------------------------------------------------------------ STATISTICS SESSION 1 ----------- PAPER NUMBER ----------- - 1 - - 2 - - 3 - - 4 - - 5 - 10. READ All,Most or None _____ _____ _____ _____ _____ 11. TIME SPENT READING PAPER (in hours) _____ _____ _____ _____ _____ 12. Number of times you accessed discussion _____ _____ _____ _____ _____ 13. Number of times you asked questions or participated in discussion _____ _____ _____ _____ _____ 14. Amount of time you devoted to the discussion (in hours) _____ _____ _____ _____ _____ 15. Total Time Devoted (in hours) _____ _____ _____ _____ _____ ---------------------------------------------------------------------- SESSION 2 ----------- PAPER NUMBER ----------- - 6 - - 7 - - 8 - - 9 - - 10- 10. READ All,Most or None _____ _____ _____ _____ _____ 11. TIME SPENT READING PAPER (in hours) _____ _____ _____ _____ _____ 12. Number of times you accessed discussion _____ _____ _____ _____ _____ 13. Number of times you asked questions or participated in discussion _____ _____ _____ _____ _____ 14. Amount of time you devoted to the discussion (in hours) _____ _____ _____ _____ _____ 15. Total Time Devoted (in hours) _____ _____ _____ _____ _____ ---------------------------------------------------------------------- SESSION 3 ----------- PAPER NUMBER ----------- - 11- - 12- - 13- - 14- - 15- 10. READ All,Most or None _____ _____ _____ _____ _____ 11. TIME SPENT READING PAPER (in hours) _____ _____ _____ _____ _____ 12. Number of times you accessed discussion _____ _____ _____ _____ _____ 13. Number of times you asked questions or participated in discussion _____ _____ _____ _____ _____ 14. Amount of time you devoted to the discussion (in hours) _____ _____ _____ _____ _____ 15. Total Time Devoted (in hours) _____ _____ _____ _____ _____ ---------------------------------------------------------------------- EVALUATION Evaluation - Scale 1 to 5 - 1 is Poor, 3 is Average and 5 is excellent 16. Overall evaluation of papers ____ 17. Overall evaluation of discussion _____ 18. Overall evaluation of trial meeting ____ 19. I consider Paper #____ best. Evaluation (1 to 5) ____ 20. I considered the discussion of Paper #____ best. Evaluation (1 to 5) ____ 21. Explain your answers to Questions 19 and 20 ________________________ ________________________________________________________________________ ________________________________________________________________________ 22. What did you like most about the computer conference? ______________ ________________________________________________________________________ 23. What did you like least about the computer conference? _____________ ________________________________________________________________________ 24. What changes could be made to improve the computer conference? (Papers, Short Question Sessions, Discussion Sessions, etc.) ______________________________________________________________________ ______________________________________________________________________ 25. Compare this Conference with the usual conference. ________________________________________________________________________ ________________________________________________________________________ 26. Other suggestions and recommendations ______________________________________________________________________ ______________________________________________________________________ (Continue if you need more space) ---------------------------------------------------------------------- Please return this form to Thomas O'Haver (TO2@UMAIL.UMD.EDU) between August 16 and August 20 ------------------------------------------------------------------------- We hope this will be the first of many conferences. Topics for future computer conferences are not restricted to chemical education. A Conference on Chemometrics is planned for October 1994. Please contact Tom O'Haver after August 20 if you are interested in organizing a conference. CHEMCONF and LISTSERV will be available for future use. ========================================================================= Date: Mon, 14 Jun 1993 09:18:00 EDT From: ROSEN1 Subject: SHORT QUESTION PERIOD COMPUTER CONFERENCE ON APPLICATIONS OF TECHNOLOGY IN TEACHING CHEMISTRY JUNE 14 TO AUGUST 20, 1993 It is Monday, June 14 - This day is to be devoted to the sending of SHORT QUESTIONS ONLY regarding PAPER 1 (The Use of Computers in a Junior-level Analytical Chemistry - Physical Chemistry Laboratory Course by Donald Rosenthal). SHORT QUESTIONS may be directed to the author and/or participants via CHEMCONF. Another message will be sent to you at the end of the SHORT QUESTION period for this paper (Tuesday 8 AM Eastern Daylight Saving Time). There is to be no DISCUSSION of PAPER 1 at this time. DISCUSSION of PAPER 1 will begin on Monday, June 21. Additional information about the SHORT QUESTIONS period and the DISCUSSION period can be found in the INSTRUCTIONS FOR PARTICIPANTS. Excerpts are appended below. -------------------------------------------------------------------- INSTRUCTIONS FOR PARTICIPANTS (Updated 5/13/93) 1. SHORT QUESTIONS The first week of each session is reserved for the reading of the papers in that session and for sending SHORT QUESTIONS to the authors or other participants. A specific day is designated for SHORT QUESTIONS on each paper. For example, it is expected that Paper 1 will be read on or before June 14. In reading the paper you may have a short question for the author asking for more information or clarification of points raised in the paper. A SHORT QUESTION may be sent to the author of Paper 1 on June 14 via CHEMCONF. This will alert other participants as well as the author to the question. SHORT QUESTIONS may be sent to the other participants on the designated day. DISCUSSION of the paper WILL NOT START until at least a week after the designated time for SHORT QUESTIONS. This gives authors (and participants) at least a week to prepare answers to SHORT QUESTIONS To send comments or questions privately to the author of the paper only, send your message to the author's email address given in the paper. Reports of typographical errors, spelling and grammatical errors should be sent directly to the author, not to CHEMCONF. Only the authors can see these messages. You can send these messages at any time. 2. DISCUSSION A specific two days during the second and third weeks of each session is devoted to the discussion of each paper. Answers to SHORT QUESTIONS are to be sent at the beginning of the session. To send comments or questions about a particular conference paper to the entire conference, WAIT UNTIL THE DAYS DESIGNATED FOR DISCUSSION OF THAT PAPER, then mail your message to CHEMCONFmdd.umd.edu or CHEMCONFmdd.bitnet Please put the PAPER NUMBER IN THE SUBJECT LINE of the message (e.g. "Paper 1"), so that participants can more easily sort out conference discussions from other e-mail. Please remember that messages sent to CHEMCONF will be distributed to all CHEMCONF participants, adding to their e-mail burden. As a courtesy to other participants, please keep your messages concise, limit your discussion to the topic of the paper in question, and avoid irrelevant, redundant, and personal comments that are not of general interest. Comments about conference procedure should be directed to Tom O'Haver (to2@umail.umd.edu) or Don Rosenthal (rosen@CLVM.BITNET). APPENDIX 5: HELPFUL HINTS AND SUGGESTIONS a. One of the problems of an e-mail based conference is sorting out all the overlapping threads of conversation. When you are responding to or asking about a specific passage in a paper or message, a very helpful technique is to quote a small passage from that paper or message in your response and to place a ">" character at the beginning of each quoted line, e.g.: > We used the....so-and-so...in order to.... We tried that too, but we found that.... The ">" character in this example is an e-mail convention indicating that that line is quoted from another message. There is no need to re-type the quoted passage if you have saved it on the file system of your computer; just Copy and Paste the desired passage into your message, then type ">" characters in front of each line. Another helpful technique to refer to a previous message is to specify the time and date, e.g. 2-11-93 8:53 EST. Depending on the way that participants store messages, this may make it easier to find a particular message. ========================================================================= Date: Mon, 14 Jun 1993 09:14:22 -0700 From: Stephen Lower Subject: P1Ques: standardized computers The requirement that all students have a computer whose type is mandated by the University raises a few questions: 1) Do you feel that this policy (which undoubtedly played an important role in establishing Clarkson as a pioneer in getting microcomputers into the hands of students) still makes a significant difference in terms of how you make use of computers in your Chemistry courses? 2) I presume that the 1-Mb PS/2 is a minimum standard, intended to keep costs as low as possible. How do you deal with the eventual need to incorporate software into your curriculum that requires a more powerful system (with Windows capability, for example)? Do a significant number of students buy computers that extend beyond this minimum requirement? ---------- Steve Lower - Vancouver, Canada Dept of Chemistry - Simon Fraser University - Burnaby BC V5A 1S6 lower@sfu.ca 604-291-3353 FAX: 604-291-3765 ========================================================================= Date: Mon, 14 Jun 1993 13:04:00 EDT From: "Peter Gold, Penn State U. (814) 865-7694" Subject: Paper 1: Questions 1. Are all of the course experiments given in the paper or are those just the ones that make use of computers? 2. Does the course do anything with digital (or analog) methods for signal enhancement? 3. Does the course do anything with vacuum techniques? ( I know that doesn't have much to do with computers; I'm just curious.) ========================================================================= Date: Mon, 14 Jun 1993 14:59:30 -0400 From: Jack Martin Miller Subject: Re: P1Ques: standardized computers The problem with trying to standardize on any one computer/operating system is that until the software world provides truly "open" software, standardization limits one to the lowest common denominator. It the real world of the 90's, any system that doesn't support a GUI (graphical user interface) is counter productive. That leaves us with Windows, Mac OS, UNIX with some variant of X-windows, or X running on a Mac or PC. For chemical or any other technical computing, having students buy a text based DOS machine distorts the potentials for the real world use of computers. Non-standard/ non-interchangable graphics superimposed on DOS simply complicates the situation. I am trying to network a mixture of DOS/Windows PCs, Macs and Unix boxes so that the spectroscopic information obtained in our major instrumentation labs is available on faculty desc-tops, and in the student computer labs. This is non-trivial and we've really just started it. The only hope for the pure DOS-ites is to take text files into a spreadsheet or plotting program, but without WYSIWYG, the resulting reports look a mess. Those comfortable in a Mac, Windows or UNIX environment do so much better. Does low cost with everyone on a minimalist computer achieve better goals that having fewer computers shared, but able to do what is expected in the real world. Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Mon, 14 Jun 1993 14:06:00 CDT From: Ray Sommers Subject: Paper 1 re: V A 1 Fig. 8; Which set of data was used for the figure - or is it just a representative figure ? re: V A 1 Fig. 8: Was the raw data reentered by keyboard for the plot or was it manipulated from that originally collected? re V B; In the first line specifying p-cyanoacetophenone I am not familiar with the 2 E-3 M designation or the 1443-80-7. Could you explain? Thanks, |==================================================================| | | | Ray Sommers, Chem Dept. +----+----+ | | | | U of Wis @ Stevens Point | | | | | / \ Stevens Point WI 54481 /^\ | /^\ | | / UWSP \ rsommers@spu1.uwsp.edu (___) | (___) | | (__________) rsommers@uwspmail.uwsp.edu /^\ | |==================================================================| ========================================================================= Date: Mon, 14 Jun 1993 16:45:00 EST From: "Arthur M. Halpern" Subject: paper 1 RE: Paper 1 Concerning the use of computers in the physical chemistry laboratory, do any of the experiments described involve the use of on-line data acquisition by the computer from an instrument? Also, do you deal with ADC methods/techniques in that part of the lab course? Arthur M. Halpern Department of Chemistry Indiana State University Terre Haute, Indiana ========================================================================= Date: Mon, 14 Jun 1993 16:47:44 -0600 From: "Douglas A. Coe" Subject: Short Questions for Paper #1 1. Do you have a short course for "classical" quantitative analysis. If not, why not? How much "classical" quantitative analysis do students get in the first year? 2. In what courses, other than those you mentioned, do you teach the statistical treatment of data? 3. How does Clarkson manage to insure that each entering student is able to purchase a microcomputer? ========================================================================= Date: Mon, 14 Jun 1993 21:45:17 -0600 From: Gerald Morine Subject: Re: Paper 1 I have a few short questions related to Paper 1, which I incidentally thought was an excellent piece of work. 1. The author wrote that previously students were given instruction in BASIC and FORTRAN, and wrote data analysis programs, for example, on the kinetics experiment. Do you still require or even encourage students to learn these languages? Why or why not? 2. Other "Short Questioners" have asked about electronic signal enhancement and A/D conversion. I would like to broach the same subject in different terms. Specifically, are all the computer-data acquisition experiments hard-wired or commercial connections, or do students do any practical electronics in the course of running these experiments? 3. What are the safety precautions that are followed to make taking viscosities of concentrated sulfuric acid solutions, in the Nylon experiment, safe? Jerry Morine, Department of Chemistry, Bemidji State University, Bemidji, MN ghmo@vax1.bemidji.msus.edu ========================================================================= Date: Tue, 15 Jun 1993 08:46:28 -0400 From: Undetermined origin c/o Postmaster 1. Why recomend Thinnet rather than 10baseT based on future speed -- your suggestion of FDDI (100 MHz) on Thinnet coax when the IEEE is closer to accepting a twisted pair (10baseT) 100 MHz Ethernet standard than they are to FDDI on copper. ( I myself am responsible for a couple of thinnet and a couple of 10base10 ethernet LANs and a half dozen Appletalk LANs and we are phasing out the thinnet -- much less reliable than 10baseT and much harder to troubleshoot. In a star configuration, thinnet exceeds the conduit capacity of most already constructed buildings, whereas the twisted pairs for 10baseT already exist inmost offices and labs as part of the telephone cabling.) 2. 2. Why do you not mention Appletalk (Localtalk) via ethernet i.e. Ethertalk. You don't distinguish the Mac networks with peer to peer (System 7) networking from cohabitation with client server using The Apple server software, or as we do MacJanet ( 6 or 7 MacJanet nets on campus and more going in). Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Tue, 15 Jun 1993 08:59:24 -0400 From: Undetermined origin c/o Postmaster 1. Why recomend Thinnet rather than 10baseT based on future speed -- your suggestion of FDDI (100 MHz) on Thinnet coax when the IEEE is closer to accepting a twisted pair (10baseT) 100 MHz Ethernet standard than they are to FDDI on copper. ( I myself am responsible for a couple of thinnet and a couple of 10base10 ethernet LANs and a half dozen Appletalk LANs and we are phasing out the thinnet -- much less reliable than 10baseT and much harder to troubleshoot. In a star configuration, thinnet exceeds the conduit capacity of most already constructed buildings, whereas the twisted pairs for 10baseT already exist inmost offices and labs as part of the telephone cabling.) 2. 2. Why do you not mention Appletalk (Localtalk) via ethernet i.e. Ethertalk. You don't distinguish the Mac networks with peer to peer (System 7) networking from cohabitation with client server using The Apple server software, or as we do MacJanet ( 6 or 7 MacJanet nets on campus and more going in). I hope this hasn't gone out twice -- 1st attempt returned by postmaster, but it may have been to everyone since there was an error in originator address apparently. Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Tue, 15 Jun 1993 13:55:00 EDT Subject: Paper 2 - Short Questions To: B. James Hood Middle Tennessee State University bjhood@knuth.mtsu.edu PAPER 2 Short Questions 1. What sort of local area network are you using in chemistry at Middle Tennessee State Unbiversity? How many and what kind of microcomputers do you have on the network? 2. What do you and what do the students use the network for? What software is available on the network? Donald Rosenthal Box 5810 Department of Chemistry Clarkson University Potsdam NY 13699-5810 ROSEN1@CLVM.BITNET ========================================================================= Date: Tue, 15 Jun 1993 16:24:00 EDT From: to2 Subject: Paper 2 Can you explain why it was that separate proprietary LAN protocols needed to be developed in the first place, rather than basing everything on non-proprietary TCP/IP? After all, you need TCP/IP anyway to deal with the Internet, so why not use that for LAN services as well? That way you wouldn't have to mix protocols on one network (e.g. Novell + TCP/IP, or AppleTalk + TCP/IP). Tom O'Haver ========================================================================= Date: Wed, 16 Jun 1993 06:50:14 -0500 From: Carolyn Sweeney Judd Subject: PAPER 3 Yes! Better visualization will surely lead to increased understanding. Can you give an estimate of the time needed to produce your movies? Carolyn S. Judd Central College, Houston Community College System 1300 Holman Houston, TX 77004 1-512-630-1103 cjudd@tenet.edu ========================================================================= Date: Wed, 16 Jun 1993 11:00:00 EDT Subject: PAPER 3 - SHORT QUESTION 1. How do you use the animation files - do you use them as demonstrations in lectures or do students have access to them outside of class? 2. How do students react to these animations? What sort of student evaluations have these materials received? ========================================================================= Date: Wed, 16 Jun 1993 12:35:31 -0400 From: Gary Hammer Subject: paper 3 How do you get the animated player to work. After some unzip problems, solved by Tom Haver, who suggested unz50p1.exe as the unzipper, I was able to unzip the .zip files. Now aniplay.exe---shown in paper 3 as aaplayhi.exe---gave me an error messasge which indicated it didn't like my video display and then dumped me to a blank screen which I assume is the player screen, eventually. The second time through I did not get the error message, but instead went to same blank screen. The function keys 1-9 served to change a number on the bottom of the screen from 0 - 48. There was never any chance to change any parameters or the configuration. Any suggestions. Gary Hammer ghammer@powhatan.cc.cnu.edu ========================================================================= Date: Thu, 17 Jun 1993 01:38:30 EDT From: CHARLIE ABRAMS Subject: Paper 3 Short Questions 1. Do you have a graph of the potential energy vs. frame number? Even better would be an energy surface with O-C and C-Br distances as the X and Y axis respectively. 2. Can you provide more information on exactly what parameters were used for the calculation? (ie. what level of sophistication, etc.) 3. How much faith do you have in these calculations? Is it safe to assume that the *qualitative* behavior is independent of the level of sophistication? 4. Can you generate shaded *surfaces* with HyperChem? Was this avoided because of computational expense, or memory expense, or both? (By surface I mean CPK type image). 5. I've had trouble getting the display to behave properly on one monitor. The program did not give me the 640x480 driver option when I used a DEC "PC7XV" monitor (with a DEC 433dxLP computer), and would only display 'oversized bits'. Are other drivers available? Thanks! Charles B. Abrams McGill University (514) 398-6224 cx7q@musica.mcgill.ca ========================================================================= Date: Thu, 17 Jun 1993 06:53:49 -0500 From: Carolyn Sweeney Judd Subject: help I am confused! Yesterday I received confirmation that my question had been received by you, but I never re-received the question as I would have expected. Was the question sent out to all conference members except the member who wrote the question? Thank you, Carolyn S. Judd ========================================================================= Date: Thu, 17 Jun 1993 06:56:24 -0500 From: Carolyn Sweeney Judd Subject: Paper 4 I love The World of Chemistry videos! My students love them also. Could you give more detail about the student projects involving their own video productions. Was there an exact assignment? How long were the videos. Did the institution furnish the equipment? How did the class presentation go? Were there more student questions following a student presentation than the presentations from The World of Chemistry? Thank you. Carolyn S. Judd Central College, Houston Community College System 1300 Holman Houston, TX 77004 1-713-665-7463 cjudd@tenet.edu ========================================================================= Date: Thu, 17 Jun 1993 08:29:00 EDT From: Donald Rosenthal Subject: Paper 4 - Short Question PAPER 4 - Short Question 1. Six references are listed at the end of your paper. The videotapes are cited. What about the other references? Were any of these used in the courses you discussed? Was the laboratory manual used? What sort of experiments are in the laboratory manual? Donald Rosenthal Box 5810 Department of Chemistry Clarkson University Potsdam NY 13699-5810 ROSEN1@CLVM.BITNET ========================================================================= Date: Thu, 17 Jun 1993 10:25:00 EDT From: to2 Subject: Re: Paper 4 - Short Question In-Reply-To: <9306171235.AA15636@umd5.umd.edu> 1. Specifically what societal, economic, and political differences between Israeli and American chemistry students have a bearing on the video-based course experiment? 2. Do you find important differences between the television viewing habits of Israeli and American students? 3. Are there differences between the extent to which Israeli and American students are exposed to video production technology at the secondary level? Tom O'Haver ========================================================================= Date: Fri, 18 Jun 1993 10:20:19 -0400 From: Mary Swift Subject: Paper05 Brockwell Questions: 1. What mechanism will be employed to prevent the students from using the computer program to guide their analysis of the unknowns? That is access the program for the questions to be answered and then go and do the appro- priate experiments to obtain these answers? 2. For the pre-med students (75% of the class), what is the major objective - development to critical thinking skills or development of manual dexterity? If it is critical thinking, how many wet labs are absolutely necessary to permit the students to get an aceptable level of manual dexterity? 3. How many of the pre-med students obtain admission to medical school? 4. While one must acknowledge the goals of the student would it not be better to emphasize that there are many careers, including medicine, that require the use of problem solving skills? Mary L. Swift ========================================================================= Date: Fri, 18 Jun 1993 09:30:01 -0600 From: "Douglas A. Coe" Subject: Short questions for Paper 5 Short questions for Paper 5: 1. How many institutions require a qualitative organic course in one or more of their majors? (a question to all particpants) 2. How many participants have written homegrown programs to ease the grading of homework or laboratories in large classes? I did this in a physical chemistry course where enrollment has varied from 50 to 150 students and where, typically, 200 problems are assigned. The program has been tremendously useful in this course, but required a year of intensive effort to write. I'm not sure I would do it again. (again a question to all participants) Doug Coe Montana College of Mineral Science and Technology ========================================================================= Date: Fri, 18 Jun 1993 13:26:56 EDT From: Alan Stolzenberg Subject: Questions on paper 5 Questions on "It's How You Play the Game: Design of an Electronic . . ." 1. Some schools that do qual organic analysis use mixtures of compounds. Do you have any thoughts about how the program could be changed to make pro- vision for this? 2. I wonder whether the interactive approach with the computer program will encourage students to perform tests that their current results and their logic should tell them are unnecessary? In other words, will the pro- gram encourage them to not to think about their approach and instead conform to a strategy that is implicitly spelled out by the series of questions that they confront? 3. What type of computer system do you envision running the program on? How will you prevent a student from hacking and taking over the system? The danger is not only of students finding out the answers but also changing other students' scores. Whether or not this is easy, if students think that it is possible you might start getting complaints that the session and results went differently than your records show. ========================================================================= Date: Fri, 18 Jun 1993 15:13:44 -0400 From: Jack Martin Miller Subject: Re: Short questions for Paper 5 >Short questions for Paper 5: > >1. How many institutions require a qualitative organic course in one or > more of their majors? (a question to all particpants) Not as separate courses, but integral to our integrated year II labs, (org, inorg, phys, analyt integrated in a pair of one semester courses) > >2. How many participants have written homegrown programs to ease the > grading of homework or laboratories in large classes? I did this > in a physical chemistry course where enrollment has varied from 50 > to 150 students and where, typically, 200 problems are assigned. The > program has been tremendously useful in this course, but required a > year of intensive effort to write. I'm not sure I would do it again. > (again a question to all participants) > > Doug Coe > Montana College of Mineral Science and Technology Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Mon, 21 Jun 1993 07:56:00 EDT From: Donald Rosenthal Subject: Paper 1 - Answers to Short Questions PAPER 1 - ANSWERS TO SHORT QUESTIONS Lines with > contain questions Answers are on lines containing * From: Donald Rosenthal Clarkson University Potsdam NY 13699-5810 ROSEN@CLVM.BITNET Date: June 21, 1993 ===================================================================== > Date: Mon, 14 Jun 1993 09:14:22 -0700 > From: Stephen Lower > Subject: P1Ques: standardized computers > The requirement that all students have a computer whose type > is mandated by the University raises a few questions: --------------------------------------------------------------------- QUESTION A > 1) Do you feel that this policy (which undoubtedly played an important > role in establishing Clarkson as a pioneer in getting microcomputers > into the hands of students) still makes a significant difference in > terms of how you make use of computers in your Chemistry courses? * Each student at Clarkson has an IBM PS/2 in his (or her) room and is * supplied with MS DOS, Word Perfect and a spreadsheet (Lotus-1,2,3 * or Quattro Pro). As a freshman the student has taken an introductory * computer course which familiarizes him (or her) with the software. * Word processing has been used in a one year freshman english course * (Great Ideas) and throughout the curriculum. Under these * circumstances I had no missgivings about requiring every student to * use word processing or a spreadsheet to prepare experimental * reports. I did not have to worry about students having to stand in * line or sign up for a time slot in a terminal room somewhere on * campus. Students have access to personal computers (PS/2 or Zenith * 248) in the chemistry laboratories, the Science Center terminal rooms, * near the library and elsewhere on campus. In the junior level * Instrumental Laboratory course which I described I opted to make all * additional software students needed in preparing laboratory reports * available. All this software could be used on the student's personal * computer. (However, see Question B.) --------------------------------------------------------------------- QUESTION B > 2) I presume that the 1-Mb PS/2 is a minimum standard, intended to > keep costs as low as possible. How do you deal with the eventual > need to incorporate software into your curriculum that requires > a more powerful system (with Windows capability, for example)? > Do a significant number of students buy computers that extend > beyond this minimum requirement? * The PS/2 is adequate for word processing, spreadsheet and many other * applications. Each year (or every few years) the University * reassesses its computer needs and the personal computer has been * updated. Next year the PS/2 will have a 25 megaherz SX 386 * microprocessor, 2 megs of memory and an 80 meg hard disk. MS DOS 5 * will be the operating system. The monitor is monochromatic. * Some students have added additional memory or a modem to the * PS/2. With a modem and terminal emulation software students can dial * up and access the University-wide network. Very very few students * buy additional computers. * Each student receives an instructional access code which provides * access to electronic mail, file transfer and printing services as well * as access to an IBM RS/6000 POWERServer 550 with 256 Megabytes * of memory and a total of more than 65 Gigabytes of disk storage. * In the Science Center where the Department of Chemistry is located * there are two terminal rooms containing a total of thirty IBM RS/6000 * color workstations. There are two Science Center terminal rooms * containing a total of forty-eight IBM and compatible PCs which are * network-connected. In addition, there are about a half dozen * network-connected PCs in each of the dormitories, and RS/6000 and PCs * in half a dozen terminal rooms elsewhere on campus. * The Network contains a software distribution system which contains * software developed by faculty for courses, by the Educational * Resources Center staff, software obtained free and software for which * Clarkson has a site license. This software can be down loaded to * disk and used on the student PCs. This software is classified into * the following categories - Communications Software, Computation * Software, Data Base and Data Base Tools, Editors and Editing Tools, * Graphics/Plotting Programs and Tools, Miscellaneous Utilities, PC TeX, * Programming Languages, Software for Courses, and Freshman Software * Distribution. The programs mentioned in Section IV-A-5 of my paper * were available in the Software for Courses category. * The student PS/2s take much of the burden off the Network and * mainframe computers. Access to the network and mainframes presents * no problems for the 2600 undergraduate, 270 graduate students and 200 * faculty members at Clarkson. Professor Lower mentions that the * Clarkson PS/2s are not adequate to accommodate all software. If * software is needed which will not run on the student PS/2, it may be * available via the Network and/or may be run on an IBM RS/6000. * I decided for my laboratory course that I would not REQUIRE the use * of any software that would not run on the student stand-alone PS/2 * computer. The organic chemistry course at Clarkson * uses software which will not run on the Clarkson PS/2. There is * molecular modelling software developed at Clarkson under the * supervision of Dr. Richard Partch which will run on the PS/2. Dr. * Yuzhuo Li has used PC Model and HyperChem for Windows with his * students. PC Model was used on the IBM RS/6000. He is planning to * have undergraduate organic students use SPARTAN on the RS/6000 next * year. * There is a considerable amount of software to which students have * access on the Network. This includes languages like FORTRAN, * Pascal, C, C++, ADA, MODULA-2, COBOL, PL/I, LISP and PROLOG. Also, * many applications packages are available, e.g. Archie, Framemaker, * Gaussian 90, Gnuplot, Gopher, GraPHIGS/GKS, Grolier's Encyclopedia, * IMSL, InfoExplorer, ITPACK, LAPACK, Maple, MATLAB, MOTECC, NCAR graphics, * Nexpert, Nomad2, ORACLE, SAS, SLATEC, Tekplot. ==================================================================== > Date: Mon, 14 Jun 1993 13:04:00 EDT > From: "Peter Gold, Penn State U. (814) 865-7694" --------------------------------------------------------------------- QUESTION C > 1. Are all of the course experiments given in the paper or are those > just the ones that make use of computers? * These are all the experiments each student performed in 1991. * From year to year experiments may change. Many of these experiments * have been used for a number of years. --------------------------------------------------------------------- QUESTION D > 2. Does the course do anything with digital (or analog) methods for > signal enhancement? * No --------------------------------------------------------------------- QUESTION E > 3. Does the course do anything with vacuum techniques? ( I know that > doesn't have much to do with computers; I'm just curious.) * The Vapor Pressure of Water experiment (Section VI-A-12, See Section * VII Reference 7, p. 223 to 226) uses a vacuum pump and manometer. * Vacuum distillations are performed in the organic chemistry * laboratory course. * Do any of you have an experiment or experiments using vacuum * techniques? If so, what sort of experiments do you perform? ===================================================================== > Date: Mon, 14 Jun 1993 14:59:30 -0400 > From: Jack Martin Miller > Subject: Re: P1Ques: standardized computers --------------------------------------------------------------------- QUESTION F > Does low cost with everyone on a minimalist computer achieve better > goals than having fewer computers shared, but able to do what is > expected in the real world? * I believe that every student having his own computer AND access to * a network which provides more sophisticated hardware and software, * local electronic mail plus access to BITNET and INTERNET provides * access to the real world. I believe this is a good solution to * the problem of maximizing the return obtained with limited financial * resources. I realize * there are people at Clarkson and elsewhere who do not agree with me. * Most schools have not required that each student acquire a computer. * (See my answers to Questions A and B) ====================================================================== > Date: Mon, 14 Jun 1993 14:06:00 CDT > From: Ray Sommers --------------------------------------------------------------------- QUESTION G > re: V A 1 Fig. 8; Which set of data was used for the figure - or is > it just a representative figure ? * All data and figures were not taken from the same report. * Figures 1 to 5 were taken from a student's 1989 report. * The data in Figure 6 were taken from an earlier laboratory report. * At one time chromatograms were obtained on the Aerograph as well * as the Sigma 2000. * The isothermal data for Figure 8 and Figure 8 were taken from a 1991 * report. The retention times (in seconds) were 55.8 for heptane, * 80.4 for octane, 124.2 for nonane, 202.2 for decane and 342.6 for * undecane, 61.2 for 4-methyl-2-pentanone and 73.2 for cyclopentanone. * The plot (and least squares fit) was made in part to test the * linearity of a ln(retention time) vs number of carbons plot. * The Kovats indices obtained from the plot will be somewhat different * from what is calculated using data for heptane and octane as is * usually done. --------------------------------------------------------------------- QUESTION H > re: V A 1 Fig. 8: Was the raw data reentered by keyboard for the plot > or was it manipulated from that originally collected? * The data was obtained from the Sigma 2000 (in a form like Figure 4). * This student elected to convert minutes to seconds. * The data was manually entered into the least squares program and * then used in the plot program. * Incidentally, someone has indicated that the legends for Figures * 1 to 4 presented in Section IX of my paper do not correspond to * the legends in the Figures. Originally, I had planned to present * the data before the curves. Then I decided it would be better to * present the elution curves first. I never made this change in * Section IX. I'm sorry about that. --------------------------------------------------------------------- QUESTION I > re V B; In the first line specifying p-cyanoacetophenone I am not > familiar with the 2 E-3 M designation or the 1443-80-7. > Could you explain? * 2 E-3 M is 0.002 Molar * 1443-80-7 is the Chemical Abstracts Registry Number for this compound ===================================================================== > From: "Arthur M. Halpern" --------------------------------------------------------------------- QUESTION J > Concerning the use of computers in the physical chemistry laboratory, > do any of the experiments described involve the use of on-line data > acquisition by the computer from an instrument? * The Gas Chromatography Experiment (IV-B-1) and Infrared Gas Spectrum * Experiment (VI-A-7), and ultraviolet and infrared spectra obtained * in the Controlled Potential Electrolysis Experiment (IV-B-5) involve * the use of instruments controlled by computers (Data Stations). * The liquid scintillation counter and gamma ray spectrometer contain * programmable microprocessors. * Most of our spectroscopy equipment is computer controlled. --------------------------------------------------------------------- QUESTION K > Also, do you deal with ADC methods/techniques in that part of > the lab course? * No ===================================================================== > Date: Mon, 14 Jun 1993 16:47:44 -0600 > From: "Douglas A. Coe" --------------------------------------------------------------------- QUESTION L > 1. Do you have a short course for "classical" quantitative > analysis? If not, why not? How much "classical" quantitative > analysis do students get in the first year? * Clarkson does not offer a separate course in "classical" * quantitative analysis. Volumetric and gravimetric techniques * are taught in the freshmen laboratory course and at the beginning * of the sophomore spectroscopy course. Acid-base titrations using * an indicator and pH meter are performed. Oxidation-reduction * titrations are performed. A gravimetric chloride determination * is usually performed. I believe that many schools in recent * years have opted to include gravimetric and volumetric analysis * in freshman laboratory. --------------------------------------------------------------------- QUESTION M > 2. In what courses, other than those you mentioned, do you teach > the statistical treatment of data? * Some statistics and numerical methods are taught in the freshman * general chemistry laboratory course and in the computer course. * These methods are used in the sophomore spectroscopy course. * Just how much is taught depends upon the instructor. * We have sometimes taught an elective senior level - graduate * course entitled "The Analysis Of Experimental Data". Some * students elect to take statistical methods and numerical methods * courses in the math department. --------------------------------------------------------------------- QUESTION N > 3. How does Clarkson manage to insure that each entering student > is able to purchase a microcomputer? * All students pay a $ 300 deposit when they first receive the * computer. The remainder of the money for the computer comes * from tuition. Once they graduate the computer is theirs to keep. * If the student elects not to keep the computer $ 200 is returned. ===================================================================== > Date: Mon, 14 Jun 1993 21:45:17 -0600 > From: Gerald Morine QUESTION O > 1. The author wrote that previously students were given instruction in > BASIC and FORTRAN, and wrote data analysis programs, for example, on the > kinetics experiment. Do you still require or even encourage students to > learn these languages? Why or why not? * I taught BASIC and FORTRAN to students at a time when the Department * of Chemistry had a PDP8 and there was not a lot of applications * software readily available. FORTRAN was taught using an IBM mainframe. * When students had personal computers they took an introductory course * in the Department of Mathematics and Computer Science in which they * learned PASCAL. A few years later the course consisted largely of * applications software and some FORTRAN. During the 1992-1993 our * students were taught Word Perfect and Lotus-1,2,3. * Also, students familiarized themselves with the features of the * Clarkson Computing Network. Opinion within the Department is divided * regarding the content of the introductory computing course. Our * theoretical chemists would like students to learn FORTRAN, other * members of the Department would like them to become familiar with * specific applications software. Next year for the first time * students will have the option of taking one of three introductory * computer courses - a course taught by the Department of Mathematics * and Computer Science, the School of Engineering or the School of * Management. These three courses are quite different in their content. * I believe every chemistry major should be able to program in a * general purpose high level programming language like PASCAL, FORTRAN * or BASIC. (The high school AP course features PASCAL.) Students * should be able to routinely use word processing and a spreadsheet. * I believe these are essential tools for practicing chemists. * Students need to write programs and/or use spreadsheets to perform * calculations. * WHAT DOES EVERY UNDERGRADUATE CHEMISTRY MAJOR NEED TO KNOW ABOUT * COMPUTERS AND COMPUTING? The ACS Division of Computers in Chemistry * and the ACS Division of Chemical Education's Committee on Computers * in Chemical Education are co-sponsoring symposium sessions at the * 1994 fall ACS meeting in Washington to address this and related * questions. Dr. Angelo Rossi (IBM T J Watson Research Center, P.O. * Box 218, Yorktown Heights NY 10598, Phone: 213-456-4401, e-mail: * ROSSI@WATSON.IBM.COM) and Dr. Kenneth W. Loach (Department of * Chemistry, SUNY College, Plattsburgh NY 12901, Phone: 518-564-4116, * e-mail: LOACHKW@SNYPLAVA.BITNET) are organizing the sessions. * WHAT DO YOU THINK IS THE ANSWER TO THIS QUESTION? ***************** * Should every undergraduate chemistry major know how to program in * a higher level language? - What about C? - What about molecular * modelling? - word processing - spreadsheets - numerical methods - * statistical methods - other applications software, INTERNET, * computer architecture, interfacing and computer electronics, * the use of computer interfaced equipment and associated software? * WHAT SHOULD EVERY GRADUATE STUDENT KNOW? ************************** --------------------------------------------------------------------- QUESTION P > 2. Other "Short Questioners" have asked about electronic signal > enhancement and A/D conversion. I would like to broach the same > subject in different terms. Specifically, are all the computer-data > acquisition experiments hard-wired or commercial connections, or do > students do any practical electronics in the course of running these > experiments? * All computer data acquisition experiments currently being performed * involve the use of commercially interfaced instruments. * The Second Order Kinetics experiment (Section VI-A-10) uses * a Wheatstone bridge, conductance cell, decade capacitance * box, electronic oscillator and oscilloscope. Students have to * connect the components, use the equipment and draw a circuit diagram * for the final report. For the Controlled Potential Electrolysis * experiment (Section V-B) the apparatus has to be assembled - the * potentiostat has to be connected to the electrolysis cell, and the * standard resistor and digital millivolt meter and knive switch must * be connected to the circuit. * This is a required course for all chemistry majors. All topics * can not be included. I have chosen not to emphasize electronics * or interfacing in the laboratory course. These topics are not * emphasized in the required first semester junior yeat lecture * course. We have sometimes offered elective courses covering these * topics. There are courses in electrical engineering and physics * covering these topics which some of our students elect. * DO MANY OF YOU INCLUDE MUCH ELECTRONICS OR INTERFACING IN REQUIRED * UNDERGRADUATE COURSES? ******************************************** --------------------------------------------------------------------- QUESTION Q > 3. What are the safety precautions that are followed to make taking > viscosities of concentrated sulfuric acid solutions, in the Nylon > experiment, safe? * Each student is required to wear safety glasses and a laboratory * apron and is not permitted to pipet by mouth. We emphasize safety. * There are Safety Regulations which students are required to read * and then to sign a statement indicating they have read the regulations * and agree to abide by them. * We have a Departmental Safety Committee. A monthly Inspection * Committee is appointed and makes two unannounced inspections each * month of research and instructional laboratories and the chemistry * storerrom. This Inspection Committee consists of an undergraduate, * a graduate student and a faculty member. They turn in an inspection * report. The Safety Committee reviews these reports and takes * appropriate action. ===================================================================== ========================================================================= Date: Mon, 21 Jun 1993 10:05:42 CDT From: "Harmon B. Abrahamson" Organization: North Dakota Higher Education Computer Network Subject: Paper 1, Re: Answer to short Question E In-Reply-To: Message of Mon, 21 Jun 1993 07:56:00 EDT from , In his reply to short questions on paper 1, Donald Rosenthal writes: > QUESTION E ... > * Do any of you have an experiment or experiments using vacuum > * techniques? If so, what sort of experiments do you perform? To my knowledge, we at Univ. of North Dakota do not use vacuum techniques in our Junior-level P. Chem. lab. We DO, however, use them in our Senior-level Advanced Synthesis Lab, where we do vapor pressure and molecular mass measurements, along with synthetic chemistry in the vacuum line. This course is taken by chem. majors wanting an ACS-approved degree (typically about one-quarter of our majors). -=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=- Harmon B. Abrahamson | BITNET: UD108726@NDSUVM1 Department of Chemistry | INTERNET: UD108726@VM1.NoDak.EDU University of North Dakota | PHONE: (701) 777-2641 PO BOX 9024 | FAX: (701) 777-2331 Grand Forks, ND 58202-9024 |************************************ | What's nu? E/h of course! -=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=- ========================================================================= Date: Mon, 21 Jun 1993 13:56:12 -0400 From: "Mr. Science" Subject: Re: Paper 1, Re: Answer to short Question E "Number One, engage text-extractor beam... NOW!!" "Aye, Captain!!" BBBZZZFFFTTT!!! "Captain, previous message locked into extractor beam. Begin reply?" "Mr. Riker... Make it so!" > > * Do any of you have an experiment or experiments using vacuum > * techniques? If so, what sort of experiments do you perform? > Here at georgetown, our senior year labs involve several experiments that utilize one form or another of vacuum technique. The senior year is when we schedule our Physical Chemistry & Advanced Chemistry Lab courses. The experiments we do with some form of vacuum techniques are as follows: Simple use of vacuum pumps: 1. Velocity of sound in a gas via FFT analysis in a Kundt's tube. 2. Critical Point apparatus for gases. Vacuum-line: 1. Synthesis of Hydrogen and deuterium Halides for spectroscopic analysis. 2. Synthesis of Various Inorganic compounds. Students are, of course, supervised during an initial run, and then given some latitude to run the equipment on their own, but with supervisory personnel (graduate student T.A.'s or faculty) present in the room, keeping a watchful (yet somewhat-distance) eye on what is going on - this gives the students a chance to develop style, skill and confidence without feeling like they need babysitters nor getting used to coddling - something the Department feels very strongly about. We use some very elementary vaccum lines - nothing fancy or complicated. Additional information is available (via email or hardcopy) upon request. regards, Tony ;> Date this awe-inspiring message was sent: 21-JUN-1993 13:47:55 *-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-* | Anthony V. Rosati | | | Department of Chemistry, | "A nation that cannot think, | | Georgetown University | cannot survive." | | Washington, D.C. 20057-2222 | | | ROSATI@GUSUN.GEORGETOWN.EDU | - Norman Mailer, 1992 | | A_ROSATI@GUVAX.GEORGETOWN.EDU | National Press Club | # ======== # ======== # ======== # ======== # ======== # ======== # | Information Exchange Coordinator and Member, Board of Directors | | National Association of Graduate-Professional Students (NAGPS) | | 1993 - 1994 | *-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-* ========================================================================= Date: Mon, 21 Jun 1993 13:55:00 EDT From: Donald Rosenthal Subject: Some Questions QUESTIONS - QUESTIONS ----------------------------------------------------------------- VIII. SOME QUESTIONS I would be interested in learning what other participants are doing at their colleges and universities. Perhaps some of you would respond to one or more of the following: 1. How are instrumental analysis and physical chemistry laboratory taught at your school? 2. Briefly describe one or more experiments which you consider to be particularly effective. 3. Describe how computers and computer software are used in these courses. Is the use of specific software optional or required? 4. What do you consider to be the strengths and weaknesses of your courses? --------------------------------------------------------------------- QUESTION E * Do any of you have an experiment or experiments using vacuum * techniques? If so, what sort of experiments do you perform? --------------------------------------------------------------------- QUESTION O * WHAT DOES EVERY UNDERGRADUATE CHEMISTRY MAJOR NEED TO KNOW ABOUT * COMPUTERS AND COMPUTING? The ACS Division of Computers in Chemistry * and the ACS Division of Chemical Education's Committee on Computers * in Chemical Education are co-sponsoring symposium sessions at the * 1994 fall ACS meeting in Washington to address this and related * questions. Dr. Angelo Rossi (IBM T J Watson Research Center, P.O. * Box 218, Yorktown Heights NY 10598, Phone: 213-456-4401, e-mail: * ROSSI@WATSON.IBM.COM) and Dr. Kenneth W. Loach (Department of * Chemistry, SUNY College, Plattsburgh NY 12901, Phone: 518-564-4116, * e-mail: LOACHKW@SNYPLAVA.BITNET) are organizing the sessions. * WHAT DO YOU THINK IS THE ANSWER TO THIS QUESTION? ***************** * Should every undergraduate chemistry major know how to program in * a higher level language? - What about C? - What about molecular * modelling? - word processing - spreadsheets - numerical methods - * statistical methods - other applications software, INTERNET, * computer architecture, interfacing and computer electronics, * the use of computer interfaced equipment and associated software? * WHAT SHOULD EVERY GRADUATE STUDENT KNOW? ************************** --------------------------------------------------------------------- QUESTION P * DO MANY OF YOU INCLUDE MUCH ELECTRONICS OR INTERFACING IN REQUIRED * UNDERGRADUATE COURSES? ******************************************** --------------------------------------------------------------------- ========================================================================= Date: Mon, 21 Jun 1993 14:50:00 EDT From: "Peter Gold, Penn State U. (814) 865-7694" Subject: Paper 1 My earlier questions about vacuum experiments and sigital/analog signal processing had to do with questions we are asking here about the goals of the physical chemistry laboratory course. Certainly the course should serve to illustrate principles taught in the lecture and should introduce students to the acquisition and treatment of quantitative data and our course (which seems very similar to the Clarkson course except we don't use computers nearly as much) certainly does these things. Our advanced synthetic course (organic/inorganic) has as a major goal to teach students a number of important basic lab techniques that are commonly used by many synthetic chemists. Physical chemistry lab courses don't do as much of that. Among the important and widely-used techniques used by physical chemists I would certainly include high vacuum (i.e. the production and measurement of vacuums down to the microtorr range) and some of the basic digital and analog techniques of signal processing/enhancement (e.g. lock-in amplifiers, digital filtering). Our course includes a mass spectrometer experiment (magnetic sector) which uses an ion pump to get to pressures of about 10 microtorr; we don't say much about the vacuum techniques used, however. We do nothing right now with signal processing. Judging from what we find in our graduate students we are not alone in neglecting this aspect of p. chem lab. I would be interested to learn what other schools do and think about this and what other techniques should be included in a basic list. this conference you might want to address replies to me (lpg@psuvm.psu.edu). ========================================================================= Date: Mon, 21 Jun 1993 14:17:00 EST From: "Arthur M. Halpern" Subject: Re: Paper 1 In reply to the question that Don Rosenthal posed about other applications of computer-assisted physical chemistry experiments, I would like to offer the following information: At Indiana State University, we use, in addition to the spectroscopy experiments (e.g. using the FTIR spectrometer in the classic HCl (DCl) experiment) several others that are on-line, and which use considerable post-acquisition computer-based analysis. In the physical chemistry laboratory, we use the scientific and statistical program, RS1 (BBN Software, Cambridge, Mass.) for all phases of data analysis and presentation. RS1 is an extremely powerful package that has the particular advantage of being able to fit experimental data, whether entered into a table manually or through a file from a disk, to any arbitrary one-dimensional function (the FITFUNCTION routine). Thus the data needn't be in simple polynomial or exponential form. Also, in RS1, students can write procedures (language similar to FORTRAN), compile them, and run them to operate on, fit, display, etc. their data. Exploratory calculations can also be simply done using RS1 procedures. Thus RS1 combines the basic organizational and graphical assets of a spreadsheet such as EXCEL, and the graphing, exploring capability of MATHCAD into one very flexible system. The down side of RS1 is that, being an 'industrial strength' package, its expensive (about $400 after edu. discount); also it is much more esoteric than the consumer-oriented LOTUS, EXCEL, QUATTRO, MATHCAD, etc. Yet I find that the students pick up the RS1 command language fairly easily. We bought four licenses, and have then installed on four systems of our small departmental cluster (of 7 486's). Also, RS1 generates high quality (publication quality) plots on the HP 7440 (or whatever HP). A few experiments that we use for data acquisition are: 1. thermal analysis - constructing the phase diagram of the naphthalene-biphenyl system. We use an inexpensive conditioning transducer (Temperature to Analog Converter) from Omega to send the T(t) data into a bottom-of-the-line Metrabyte ADC, which is in an old Zenith 8088. The data files are then read into RS1, where a derivative procedure converts them into the first derivative, which is plotted vs. T. In this way the positions of the depressed melting points and eutectic transitions are much more easily identified. Students get very good data for this system. Cooling and heating curves are usually used in tandem. 2. collision diameters from gas viscosities - here, the output from an inexpensive pressure transducer (Omega), which monitors the pressure of an gas-handling manifold and 1-liter ballast as the gas is evacuated through a capillary, is fed into the Metrabyte ADC. The files are read into RS1 and then analyzed in terms of 1/P = 1/Po + kt, where k is determined from the known viscosity of air. The above equation follows from the integration of the Poiseuille equation assuming perfect gas behavior. Very good data are obtained IF the pressure of the gas does not exceed a point above which nonlaminar flow results (this can be estimated from the Reynolds number - I have the students do a simple calculation to estimate this point - for Ar, it is about 100 torr) and IF the pressure doesn't get too low where bulk flow gives over to molecular flow - this point the students can estimate from a comparison of the mean free path vis-a-vis the diameter of the capillary tube. 3. chemical kinetics - the product formed in a mixed second order is followed spectrometrically - again using an old 8088 baby sitting for an ADC. The data are fed into RS1, and a derivative procedure allows the students to analyze the kinetics using the differential rate law. In this form, d[P](t)/dt = k{[A]o - [P](t)}^a {[B]o - [P](t)}^b , the students FIRST confirm that a = b = 1 by using the FITFUNCTION routene in RS1, and then using a = b = 1 find k. Of course, they know [A]o and [B]o, as well as the extinction coefficient for the product from a separate experiment. Measuring k(T), and thereby Ea, is an extension that some students can follow. Using RS1 allows the study of the complex kinetics of an enzyme-catalyzed reaction to be followed in real time and analyzed using nonlinear methods. The 'burst' of product, formed in the classic hydrolysis of an ester by alpha-chymotrypsin, is readily seen in real time acquisition and analyzed according to P(t) = At + B{1 - exp(-bt)}. Some of these experiments are completely described in a p chem textbook that I write several years ago (Experimental Physical Chemistry: A Laboratory Textbook Scott,Foresman/Little,Brown, 1988). If you'd like further information, please contact me. BITNET: CHAMH@INDSVAX1 VOICE: (812) 237-2182 FAX: (812) 237-2232 Arthur M. Halpern Department of Chemistry Indiana State University Terre Haute, IN 47809 ========================================================================= Date: Mon, 21 Jun 1993 15:26:50 EDT From: "C. H. Lochmuller" Subject: Re: Some Questions In-Reply-To: <9306211908.AA20356@umd5.umd.edu>; from "Donald Rosenthal" at Jun 21, 93 1:55 pm Duke University P. Chem is distinct from Analytical and we do not teach an Instrumental Analysis Course per se. Our analytical course is post-P. Chem. The experiments are illustrative of modern thought in analytical chemistry and not a redindant series of external/internal calibrations. One can run into the problem that experiments are viewed as either step change response or the first derivative }peaks} if "instrumental analysis" is the emphasis {we believe}. Our students use modern instruments to obtain data for analysis. All our instruments are capapble of transferring the experimental data structures to a course dedicated VAX. The students then use MATLAB in a UNIX-like environment to work up their data, get results, do graphical and numerical analysis and prepare a report. All via ethernet campus-wide. Actually the course VAX is an end-node on Internet and we do have students logging in from thousands of miles remote over holidays finishing their latest lab report. All dorm rooms here have two independent fiber drops and two workstations. All Internet as well as DukeLAN connected. Depending on the experiment, our Analytical students do: Rank Annihilation, Single Value Decomposition Factor Analysis, Target Factor Prediction, ANOVA, Non-Linear LSQ Modeling and Pattern Recognition. The experiments include use of: AA, DAD UV, FLuorescence, STM, Fully-automated HPLC, Voltammetry, Neutron Activation, GCMS. There are no interfacing experiments in our course sequences. All our experiemnts are "interfaced" and all data is in digital format. C. H. Lochmueller ========================================================================= Date: Mon, 21 Jun 1993 15:52:14 +22306404 From: "Dr. John A. Pojman" Subject: Pchem at USM At the University of Southern Mississippi, the pchem lab has had little computer interfacing. Apple IIe computers with HRM software and hardware were used. We are purchasing Macintosh IIvx with Strawberry Tree A/D boards to study the BZ oscillating reaction. (Data can be downloaded to a Mac or DOS disk. Students will do phase plane analysis -- something that can't be done with a strip chart recorder). Our Instrumental ANalysis course does not explicity address interfacing. -- John A. Pojman, Ph.D. Assistant Professor Department of Chemistry and Biochemistry (601) 266-5035 FAX: (601) 266-5829 INTERNET: pojman@whale.st.usm.edu or: pojman@wave.st.usm.edu ========================================================================= Date: Mon, 21 Jun 1993 22:01:29 -0400 From: Undetermined origin c/o Postmaster Does anyone else do as Clarkson does and builds the cost oc a computer into fees? The cost is written off over four years of fees or in the first year? My earlier questions and comments re "Real World Use" Questions B and F are based on our findings that the graphical aspects of data analysis, chemical models, molecular modeling software etc. are among the most important aspects of Chemical Computing. In a DOS only environment without a GUI, it doesn't mater how sophisticated the network programs are, you are still in a comand line interface mode and not a true WYSIWYG environment so essential to not just modern chemisry, but to computing in general. If not why is Windows a runnaway best seller on top of DOS today and why are DOS applications declining in sales wrt their Windows analogues. Those of us on the Mac side of the fencehave been saying why for 10 years. Compelling studnets into a DOS only environment seems to me to have the same relevence to modern Chemputing as would BASIC programming courses! ========================================================================= Date: Mon, 21 Jun 1993 22:09:10 -0400 From: Undetermined origin c/o Postmaster In my opinion all the listed topics are important but somethinghas to give, and iff so the higher level programing language couldwell be dropped. So much is done in packages and their macros, een ab initio theoreticalcalculation use Gaussian or related programs. Only theoreticians or someone designing new computer controlled hardware really have the programming need. I can program but havn't had to except for a bit of code clean up in 10 years. That doesn't prevent me from being hired as a consultant on major instrumentation projects. Compputer "architecture" per se is not needed, but interfacing and associated software is a very useful topic -- again on a package basis -- I've helped design electronic interfaces, and teach it on a qualitative basis in my advanced instrumentation course in year 4 (a course in applied sales resistance -- I turn my students loose on the instrument vendors). Detaisl of architectorue neednot me taught -- a bit of cpu on chip architecture can be inclded for the hardware gurus, but it needn't be dwelled on. ========================================================================= Date: Mon, 21 Jun 1993 22:12:29 -0400 From: Undetermined origin c/o Postmaster We have vacuum system experiments in P. Chem. (spectroscopy labs) the HCL isotope expt combined with FTIR, in inorganic synthesis labs, in instrumetal analysis as part of mass spec, and as part of my advanced instrumentation course, and in some detail in grad. mass spec. courses. ========================================================================= Date: Tue, 22 Jun 1993 01:14:00 CDT From: Ray Sommers Subject: Paper 1 UW Stevens Point has 15 faculty in Chem and about 10 majors/year. PC's are available in 4 student labs as well as about 15 in in the chemistry labs etc. Our analytical and pchem courses are separate. I am not familiar with the pchem course. Our instrumental analysis course does not do any interfacing. I teach an analytical course for chemistry minors. This is the second analytical course they take. In a kinetic experiment we interface to a Novaspec 2 spectrophotometer via the RS-232 port. A short program in BASIC allows us to collect absorbance vs. time. We follow the fading of crystal violet in NaOH. It is pseudo first order because the NaOH concentration is relatively high. Three runs are made with known NaOH concs. and then with an unknown conc NaOH. The data is stored in a file and then analyzed either with a locally developed plot program or a spreadsheet. Last year I gave each person a copy of the shareware spreadsheet ASEASYAS and we used that for the analysis in this experiment as well in other experiments. This experiment was formerly done with a TRS-80 and an A/D converter. |==================================================================| | | | Ray Sommers, Chem Dept. +----+----+ | | | | U of Wis @ Stevens Point | | | | | / \ Stevens Point WI 54481 /^\ | /^\ | | / UWSP \ rsommers@spu1.uwsp.edu (___) | (___) | | (__________) rsommers@uwspmail.uwsp.edu /^\ | |==================================================================| ========================================================================= Date: Tue, 22 Jun 1993 06:43:00 EDT From: to2 Subject: Paper 1 discussion My feeling is that it is not practical to make courses on electronics, interfacing, and computer programming a REQUIREMENT for ALL chemistry majors, many of whom want to be physicians or dentists, not scientists. Even most scientists treat these aspects as "black box". Here at U. of Maryland I have taught for many years separate upper-level undergraduate ELECTIVE courses on those subjects. These turn out to be quite popular with graduate students, who appreciate more than the typical undergraduate the utility of such ancillary topics for their research. The experiments emphasize group projects in which student teams design, construct, program, and test simple computer-automated measurement systems from basic parts (ADCs, op. amps, stepper motors, monochromators, etc.), apply digital signal enhancement algorithms, explore aspects of computer graphics, networking, and data exchange between platforms. Tom O'Haver U. of Maryland ========================================================================= Date: Tue, 22 Jun 1993 08:45:11 -0400 From: Tom Richardson Subject: paper1 The Citadel is (again) exploring the possibility and feasability of "having a PC/MAC in every bunk" Among the problems that the committee has identified are the power load (on older "dormatory" facilities). As far as financing goes, by making it a part of the fee structure, this part of college expense will be eligible for the student loan process (as well as it works!) Tom Richardson Assoc Prof Chemistry Department DICKSONT@CITADEL.BITNET Charleston SC 29409 .edu also works ========================================================================= Date: Tue, 22 Jun 1993 09:18:27 EDT From: "Frank M. Lanzafame" Subject: Gooey Computing > In a DOS only environment without a GUI, it doesn't mater how > sophisticated the network programs are, you are still in a command > line interface mode and not a true WYSIWYG environment so essential > to not just modern chemistry, but to computing in general. I run ChiWriter as a true WYSIWYG word processor. It has an excellent handling of multi level expressions with growing WYSIWYG structures that expand as you build equations and formulae. It runs under DOS. > If not why is Windows a runnaway best seller on top of DOS today and > why are DOS applications declining in sales wrt their Windows > analogues. There is no accounting for taste or naivete (mine). I have purchased Procomm for Windows, Quattro Pro for Windows, and Mathcad for Windows. I prefer and still use the DOS versions of these programs; particularly Procomm. Starting from a command line does not mean that the program necessarily runs from a command line. If the Lord had intended that we use mice, she would not have given us fingers with which to type. > Compelling studnets into a DOS only environment seems to me to have > the same relevence to modern Chemputing as would BASIC programming > courses! Gee, I feel like one of the scenic attractions in Jurassic Park. I think that some of the "modern", structured, compiled versions of BASIC such as QuickBasic are not terribly different from "in" languages such as C. Perhaps I should teach my BASIC problem solving course in the History Department. :-) ----------------------------------------------------------- | Frank M. Lanzafame Department of Chemistry | | Monroe Community College 1000 East Henrietta Rd. | | Rochester, NY 14623 (716) 292-2000 Ext. 5130 | | Internet: flanzafame@eckert.acadcomp.monroecc.edu | ----------------------------------------------------------- ========================================================================= Date: Tue, 22 Jun 1993 08:40:55 +22306404 From: "Dr. John A. Pojman" Subject: What Undergraduates need to Know Regarding what every undergraduate chemistry major should know about computers and programming: What must not forget that we are educating chemists -- not programmers. Students should be familiar with programming in a higher language such as FORTRAN or C. I prefer FORTRAN because of the vast libraries of routines available. Maybe C is "better" but I can't say myself. Even if Esperonto is more logical than English, not teaching English would be a mistake for anyone who wants to communicate in the scientific world. We want our students to use computers for what they are good at: Manipulation of large amout of data. Therefore, knowledge of data analysis and fitting programs like Kaleidagraph are emphasized along with word processing. Students have choice of DOS based packages or Mac ones. THey want in line for the Mac ones. I encourage them to learn as many packages as possible, to familiar with DOS even if it is a pain to use, in order to be flexible in later employment/grad school situations later. Regarding numerical analysis: Knowing a great deal about methods is not chemistry. However, anyone using numerical techniques should be aware of the limitations of computers, even if they could not write the program themselves. THat's what professional programmers are paid to do. -- John A. Pojman, Ph.D. Assistant Professor Department of Chemistry and Biochemistry (601) 266-5035 FAX: (601) 266-5829 INTERNET: pojman@whale.st.usm.edu or: pojman@wave.st.usm.edu ========================================================================= Date: Tue, 22 Jun 1993 09:44:44 -0400 From: Jack Martin Miller Subject: Re: Paper 1 discussion >My feeling is that it is not practical to make courses on >electronics, interfacing, and computer programming a REQUIREMENT >for ALL chemistry majors, many of whom want to be physicians or >dentists, not scientists. Even most scientists treat these aspects >as "black box". Here at U. of Maryland I have taught >for many years separate upper-level undergraduate ELECTIVE courses >on those subjects. These turn out to be quite popular with >graduate students, who appreciate more than the typical undergraduate >the utility of such ancillary topics for their research. The >experiments emphasize group projects in which student teams design, >construct, program, and test simple computer-automated measurement >systems from basic parts (ADCs, op. amps, stepper motors, >monochromators, etc.), apply digital signal enhancement algorithms, >explore aspects of computer graphics, networking, and data exchange >between platforms. > I agree. We strongly recommend a Physics taught electronics course and a computer science course in either packages or a higher level language, C or Fortran. I also teach the instrumentation course I described last night in fourth year and an interpretive spectroscopy (IR, NMR, MS, UV etc) in third year. Listserv at UMDD doesn't like me -- I'm the undetermined origin three messages that went out this morning. Sometimes it takes them and sometimes it rejects them from the same e-mail package -- the only Listserv I have trouble with. Prof. Jack M. Miller, Dept. of Chemistry, Brock University, St. Catharines, Ont. L2S 3A1, Canada jmiller@spartan.ac.brocku.ca Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Tue, 22 Jun 1993 10:10:45 EDT From: "C. H. Lochmuller" Subject: Re: What Undergraduates need to Know In-Reply-To: <9306221359.AA05918@umd5.umd.edu>; from "Dr. John A. Pojman" at Jun 22, 93 8:40 am > What must not forget that we are educating chemists -- not programmers. > Students should be familiar with programming in a higher language such > as FORTRAN or C. I prefer FORTRAN because of the vast libraries of routines > line for the Mac ones. I encourage them to learn as many packages as > possible, to familiar with DOS even if it is a pain to use, in order to > be flexible in later employment/grad school situations later. > John A. Pojman, Ph.D. said: I find no inconvenience in using Windows environment for any of the tasks mentioned. As for Fortran, there are few chemical applications written in recent times and commercially available that are FORTRAN-based. The fact is that our Freshman do Allinger-type calculations as stereochem homework including simulated 3D presentaion but need not write a line of code. If students are standing in line for MAC use and MAC application, it is because the DOS environment they are confronted with is on a par with Fortran IIc. There are few wordprocessing advantages in a MAC environment that are not matched or bettered in a Windows application. And the cost per student is less { i486 engines are under $1K now}. Numerical analysis can be presented much the way IR, NMR, and MS are by the organic faculty - a tool whose physics is important but not a problem in routine application. Even helping student understanding is only a question of leading them through an eigenanalysis using computer projection and eigen movies in class. CHL ========================================================================= Date: Tue, 22 Jun 1993 10:22:55 -0400 From: Jack Martin Miller Subject: Re: What Undergraduates need to Know >Regarding what every undergraduate chemistry major should know about >computers and programming: > >What must not forget that we are educating chemists -- not programmers. >Students should be familiar with programming in a higher language such >as FORTRAN or C. I prefer FORTRAN because of the vast libraries of routines >available. Maybe C is "better" but I can't say myself. Even if >Esperonto is more logical than English, not teaching English would be >a mistake for anyone who wants to communicate in the scientific world. > If by "familiar" you mean a reading knowledge, to get some idea what the program does, fine, but to get familiar you can either take the same course the programers do or have a couple of lectures to give you theprinciples, and take a self instruction book. Whith two one hour lectures in Fortran I've written large programs, been a consultant to instrument vendors etc. -- i.e. self taught. Its a question of what you do with it afterward. In most cases the vendors do not give you access to source code so knowing the language won't help you debug their programs. As you say below --datsa manipulation and using packages are the key. >We want our students to use computers for what they are good at: Manipulation >of large amout of data. Therefore, knowledge of data analysis and fitting >programs like Kaleidagraph are emphasized along with word processing. >Students have choice of DOS based packages or Mac ones. THey want in >line for the Mac ones. I encourage them to learn as many packages as >possible, to familiar with DOS even if it is a pain to use, in order to >be flexible in later employment/grad school situations later. > >Regarding numerical analysis: Knowing a great deal about methods is not >chemistry. However, anyone using numerical techniques should be aware >of the limitations of computers, even if they could not write the program >themselves. THat's what professional programmers are paid to do. > > >-- > >John A. Pojman, Ph.D. >Assistant Professor >Department of Chemistry and Biochemistry >(601) 266-5035 >FAX: (601) 266-5829 >INTERNET: pojman@whale.st.usm.edu >or: pojman@wave.st.usm.edu Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Tue, 22 Jun 1993 08:22:04 EST From: Caesar Senoff Subject: Re: Paper 1 In-Reply-To: Message of Tue, 22 Jun 1993 01:14:00 CDT from Could you provide some more information about the "shareware spreadsheet ASEASYAS"? Caesar Senoff Department of Chemistry & Biochemistry University of Guelph Guelph, Ontario, CANADA, N1G 2W1 Chmsenof@vm.UoGuelph.ca ========================================================================= Date: Tue, 22 Jun 1993 17:17:35 RSA From: Leslie Glasser <009LGZS@WITSVMA.WITS.AC.ZA> Subject: Re: Paper 1 In-Reply-To: Message of Tue, 22 Jun 1993 08:22:04 EST from ASEASYAS is an excellent spreadsheet for general use. The graphics, particular ly, is easily accessible from within the sheet; the program is fast; it is reas onably economical of memory (but only of standard memory); it is largely compat ible with 1-2-3. It does lack some sophisticated functions, but it is excellen t value for money, at $50. Available from Trius, Inc., PO Box 249, N. Andover , MA 01845-1639. Tel: 508-794-9377 FAX: 508-688-6312. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ (Prof.) Leslie Glasser Dept. of Chemistry E_MAIL: 009LGZS@WITSVMA.WITS.AC.ZA University of the Witwatersrand Tel: (011)-716-2070 WITS 2050 FAX: (011)-339-7967 South Africa ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ========================================================================= Date: Tue, 22 Jun 1993 17:25:26 RSA From: Leslie Glasser <009LGZS@WITSVMA.WITS.AC.ZA> Subject: Re: What Undergraduates need to Know In-Reply-To: Message of Tue, 22 Jun 1993 10:10:45 EDT from With regard to wordprocessing for students (or anyone!), it is hard to beat LaT ex together with the windowing environment, TEXSHELL.Both are available free, i n an excellent DOS implementation (emTeX) and it is does the best imaginable jo b of layout, especially of mathematics. It is a bit of a pain to set up, but there is no more training required than fo r, say, WordPerfect. It is not WYSIWIG, but almost transparently obvious in it s layout. LG ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ (Prof.) Leslie Glasser Dept. of Chemistry E_MAIL: 009LGZS@WITSVMA.WITS.AC.ZA University of the Witwatersrand Tel: (011)-716-2070 WITS 2050 FAX: (011)-339-7967 South Africa ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ========================================================================= Date: Mon, 21 Jun 1993 22:50:33 -0600 From: "Douglas A. Coe" Subject: Paper #1 - Computer Course for Chem Majors We are beginning a discussion centered on offering a computer course (really a series of two credit sequenced lecture/laboratory courses at the sophomore, junior, and senior levels) for chemistry majors. While computer courses are available through the computer science department, their emphasis and examples are not really what we would like our majors to be exposed to. WHAT OTHER INSTITUTIONS OFFER COMPUTER COURSES FOR THEIR MAJORS? WHAT DO YOU DO IN THESE COURSES? HOW ARE THEY STRUCTURED? The topics we are considering include DOS, WINDOWS, wordprocessing, spreadsheets, databases, drawing programs, curve fitting programs, statistical software, on-line searching, numerical methods, advanced math programs (e.g. MAPLE), programming languages, e-mail, the Internet, molecular modeling, and chemcial speciation programs. ANY COMMENTS CONCERNING THE APPROPRIATENESS (OR LACK THEREOF) OF THESE TOPICS WOULD BE APPRECIATED. Doug Coe Montana College of Mineral Science and Technology dacoe%mtvms2.mtech.edu ========================================================================= Date: Tue, 22 Jun 1993 12:40:49 EDT From: Jim Holler Subject: Re: Gooey Computing In-Reply-To: Message of Tue, 22 Jun 1993 09:18:27 EDT from The Windows version of Mathcad is far superior to the DOS version--mice notwithstanding. Jim Holler Phone: 606-257-5884 Department of Chemistry FAX: 606-258-1069 University of Kentucky Email: HOLLER@UKCC.UKY.EDU Lexington, KY 40506 ========================================================================= Date: Tue, 22 Jun 1993 12:42:05 EDT From: Jim Holler Subject: Re: What Undergraduates need to Know In-Reply-To: Message of Tue, 22 Jun 1993 08:40:55 +22306404 from We are rapidly approaching a time when knowledge of FORTRAN will be unnecessary. With all of the user-friendly tools available to perform a wide variety of tasks including those that are included in the libraries that you mention, it's difficult to justify the time spent on teaching FORTRAN. On Tue, 22 Jun 1993 08:40:55 +22306404 Dr. John A. Pojman said: >Regarding what every undergraduate chemistry major should know about >computers and programming: > >What must not forget that we are educating chemists -- not programmers. >Students should be familiar with programming in a higher language such >as FORTRAN or C. I prefer FORTRAN because of the vast libraries of routines >available. Maybe C is "better" but I can't say myself. Even if >Esperonto is more logical than English, not teaching English would be >a mistake for anyone who wants to communicate in the scientific world. > >We want our students to use computers for what they are good at: Manipulation >of large amout of data. Therefore, knowledge of data analysis and fitting >programs like Kaleidagraph are emphasized along with word processing. >Students have choice of DOS based packages or Mac ones. THey want in >line for the Mac ones. I encourage them to learn as many packages as >possible, to familiar with DOS even if it is a pain to use, in order to >be flexible in later employment/grad school situations later. > >Regarding numerical analysis: Knowing a great deal about methods is not >chemistry. However, anyone using numerical techniques should be aware >of the limitations of computers, even if they could not write the program >themselves. THat's what professional programmers are paid to do. > > >-- > >John A. Pojman, Ph.D. >Assistant Professor >Department of Chemistry and Biochemistry >(601) 266-5035 >FAX: (601) 266-5829 >INTERNET: pojman@whale.st.usm.edu >or: pojman@wave.st.usm.edu Jim Holler Phone: 606-257-5884 Department of Chemistry FAX: 606-258-1069 University of Kentucky Email: HOLLER@UKCC.UKY.EDU Lexington, KY 40506 ========================================================================= Date: Tue, 22 Jun 1993 18:17:00 +0000 From: Karl Oberholser Subject: Re: Nature of Courses The computer course tha our majors take has an emphasis on learning how to use different software packages with an introduction to programing. These packages are then used throughout the chemistry curriculum. In the instrumental lab the focus is on learning how an instrument works but in the context of solving a real world problem, at least a much as possible. Many of our instruments have commercial interfaces with computers. To give the students some insight as to what is happening in that interface we have interfaced a DB spectrometer with a computer using Labtech Notebook as the software. This software permits the manipulation of the data in a number of different ways so that the students can study the different ways of software enhancement of the S/N. Doing this experiment opens the students' eyes as to what is taking place in the commercial instruments. The use of word processors and spreadsheets are required in the preparation of the lab reports. Students in the biochemistry lab analyze their kinetic data using a program developed using the RS1 software package. This program calculates the constants using two different linear methods and the fitfunction rountine, which is available in RS1, to analyze the hyperbolic curve. The program does an error analysis of the three methods. The students are asked to compare and discuss the results of the three methods. There are a large number of non- majors in the course, and that is why the focus is on the comparison of the results and not on the details of the data analysis. ....................................................................... Item Subject: Signature Karl M. Oberholser Internet: oberhols@mcis.messiah.edu Natural Science Dept. Voice: 717-766-2511 Messiah College Fax: 717-691-6002 Grantham, PA 17027 ========================================================================= Date: Tue, 22 Jun 1993 13:40:15 -0400 From: Jack Martin Miller Subject: Re: What Undergraduates need to Know Prof Glasser wrote: >With regard to wordprocessing for students (or anyone!), it is hard to beat LaT >ex together with the windowing environment, TEXSHELL.Both are available free, i >n an excellent DOS implementation (emTeX) and it is does the best imaginable jo >b of layout, especially of mathematics. >It is a bit of a pain to set up, but there is no more training required than fo >r, say, WordPerfect. It is not WYSIWIG, but almost transparently obvious in it >s layout. >LG And a horse and bugy will still get you from a to b. TEX and its variants was a great mainframe tex setting system for complex equations for those familiar with FORTRAN, but to use it in this day and age is to frighten students from the true potential of word processors that include their graphics, equations, tables etc. If a student is writing on the word processor, whh they should be doing, the ability to see what you wrote is all important. Try visualizing your page from the formulaic TEX jargon. Don't use it just because it is free or cheap. It may not be worth it and it may train students in the wrong direction. WYSIWYG is available, it is not expensive whether Word for WIndows or Wordperfect with academic discounts. We should be teaching for the next generation, not the past. We should be using, not what we were comfortable with as students, (FORTRAN II -- that dates me, and TITAN autocode), not what has been around for years, but we should be preparing students for the 21st century. CHEMCONF is supposed, I thought, to be about thenew technologies in teaching chemistry, but I hear a lot of defense of outmoded hardware and software. Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Tue, 22 Jun 1993 13:54:32 -0400 From: Jack Martin Miller Subject: Re: Paper #1 - Computer Course for Chem Majors > We are beginning a discussion centered on offering a computer course >(really a series of two credit sequenced lecture/laboratory courses at the >sophomore, junior, and senior levels) for chemistry majors. While computer >courses are available through the computer science department, their >emphasis and examples are not really what we would like our majors to be >exposed to. As a chemist returning to full time in chemistry after three years as chair of our computer science department I could suggest that youmight get your computer scientists to put on a course directed at chemists or scientists other that computer scientists. Half our COSC enrolement is in such survice courses for the University. COSC does a FORTRAn course for Physics and Chemisstry students. There are also service courses that introduce packages, word processing, spreadsheets, databases, stats packages and networking. We have three one semester courses as a sequence. Well prepared students from high school can enter the middle one, those with no background the lower, and take one, two or three courses. WHAT OTHER INSTITUTIONS OFFER COMPUTER COURSES FOR THEIR >MAJORS? WHAT DO YOU DO IN THESE COURSES? HOW ARE THEY STRUCTURED? > > The topics we are considering include DOS, WINDOWS, >wordprocessing, spreadsheets, databases, drawing programs, curve fitting >programs, statistical software, on-line searching, All this is offered by our COSC service courses numerical methods, >advanced math programs (e.g. MAPLE), these are in our Math courses -- all calculus courses use MAPLE >programming languages, e-mail, the >Internet, In cosc courses, thouugh various lab modules may involve internet usage as well as library tools for essays >molecular modeling, a chemistry course in forth year and part of others and chemcial speciation programs. ANY >COMMENTS CONCERNING THE APPROPRIATENESS (OR LACK THEREOF) OF THESE TOPICS >WOULD BE APPRECIATED. > Don't reinvent the wheel unless you can't get anyone else to do it on your campus. Chemists should teach chemical computing, leaving the mechanical basics toothers -- what may be a legit COSC credit looks funny on a transcript labelled "Chemistry". They are tools that every chemist needs, but shouldn't be chemistry courses on the most part. Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Tue, 22 Jun 1993 13:37:02 +22306404 From: "Dr. John A. Pojman" Subject: Re: What Undergraduates need to Know In-Reply-To: <9306221711.AA20395@umd5.umd.edu> from "Jim Holler" at Jun 22, 93 12:42:05 pm I would have to agree with Jim Holler when he says: > > We are rapidly approaching a time when knowledge of FORTRAN will be > unnecessary. With all of the user-friendly tools available to perform > a wide variety of tasks including those that are included in the libraries > that you mention, it's difficult to justify the time spent on teaching > FORTRAN. I would like students to have a better understanding of the problems of computations, such as roundoff error. We were using a subroutine from Numerical Recipes to calculate the slope of a line and the standard deviation of the slope. The answers we obtained for the standard deviation were dependent on what platform we used, i.e., a Mactran compiled FORTRAN code gave a different answer then the same code compiled on a IBM RISC/6000 workstation. A Hypercard implementation agreed with the RISC results so we concluded that Mactran compiler was not carrying the calculations with enough precision. I don't think you need to be an ace programmer to appreciate the limitations of any software, but wonder if the average programming course addresses this issue enough? -- John A. Pojman, Ph.D. Assistant Professor Department of Chemistry and Biochemistry (601) 266-5035 FAX: (601) 266-5829 INTERNET: pojman@whale.st.usm.edu or: pojman@wave.st.usm.edu ========================================================================= Date: Tue, 22 Jun 1993 15:19:18 -0400 From: Jack Martin Miller Subject: Re: Gooey Computing >The Windows version of Mathcad is far superior to the DOS version--mice >notwithstanding. > Hear, hear!! For the rodentphobes, any decent program has keyboard alternatives to manipulation of rodents, so rodophobia is no excuse not to make use of a GUI with WYSISYG capabilities. Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Tue, 22 Jun 1993 15:26:04 -0400 From: Jack Martin Miller Subject: Re: What Undergraduates need to Know Jim Holler siad >We are rapidly approaching a time when knowledge of FORTRAN will be >unnecessary. With all of the user-friendly tools available to perform >a wide variety of tasks including those that are included in the libraries >that you mention, it's difficult to justify the time spent on teaching >FORTRAN. I agree 100%. How many of theparticipants have access to the Fortran code of the packages they use (most are likely in C anyway). I know what I have to go through in signing non-disclosure agreements etc. to get access to source code of my mass spec and nmr programs on my large instruments. In one case I won a copy of the source code by betting on what bad programming practice had been used in it which I detected from the performance without ever having seen a line of the code. If you plan to become a theoretician writng new algorithms then you need to become a good programmer. Almost all the types of programming refered to in these discussions caould just as well be done, or perhaps better done with Excel macros in a spreadsheet. Jack Martin Miller Professor of Chemistry Chair, Dept. of Computer Science, Brock University, St. Catharines, Ontario, Canada, L2S 3A1. Phone (416) 688 5550, ext 3402 FAX (416) 682 9020 e-mail jmiller@sandcastle.cosc.brocku.ca ========================================================================= Date: Tue, 22 Jun 1993 14:21:00 CDT From: Ray Sommers Subject: Paper 1 - ASEASYAS ASEASYAS is also available as shareware from just about any shareware source. Last year I used version 4.0 since it fit on one 360 K floppy. The latest version is 5.5 with lots of new features. Generally the files are compatable with Lotus 123 and Quatro (&Quatro Pro). Quatro Pro is available to our students on our network but since many have their own computers at home they appreciate their own copy of ASEASYAS. ASEASYAS is also available to them via our library's CDROM with the PCSIG collection of shareware (over 2000 disks of stuff). |==================================================================| | | | Ray Sommers, Chem Dept. +----+----+ | | | | U of Wis @ Stevens Point | | | | | / \ Stevens Point WI 54481 /^\ | /^\ | | / UWSP \ rsommers@spu1.uwsp.edu (___) | (___) | | (__________) rsommers@uwspmail.uwsp.edu /^\ | |==================================================================| ========================================================================= Date: Tue, 22 Jun 1993 14:37:19 -0500 Reply-To: Ted Labuza From: Ted Labuza Subject: Student Computer requirements I have prepared the following memo to the faculty in my department based on the discuss on paper #1 and other thoughts. We are an applied science department, food science, which uses many aspects of chemistry, biochemistry, physics, chemical engineering etc. I myself have been using computers since my undergraduate days at MIT in 1958 and have gone through many conversions. Is the world around us moving faster than we can keep up and with the financial crises occuring at most institutions will this electronic revolution grind to a halt or should it be the way to go to educate if the cost can be shown to be minimal. You may share the comments with your own faculty and I would appreciate any additions, corrections, other useful software or other examples. At both the graduate and undergraduate level we want our students to be knowledgeable and able to handle work in a computer environment. They will certainly be exposed to required to do that when they leave here. I have been tracking the first computerchem conference on a listserve on email. It certainly illustrates why math/calculus is the key to scientific language? What I have come to as a conclusion is that students by the time they graduate should: 1. Know how to handle at least three environments eg DOS, AMAC, OS2, Widows, UNIX etc 2. Know the rudiments of programmining, this teaches logic and illustrate how computer interfaces work on instruments; for example on a densitometer, HPLC or GC the insturument measures signal over noise as a function of time (or distance), stores the data in an array and then derivatizes the signal-time function and measures when ds/dt = 0 to get the start, maxima (ie retention time or retention distance) and end point. It also intergrates the signal-time (distance curve) to give area and multiplies by a constant (supplied by the user) to get the total concentration. Do students understand this, do theyt know how to write a program to do this? I think that they should be able to do it. Mac users should also be exposed to the rudiments of the scripting language in Hypercard. There are many programs available that use this and they can increase their productivity by making such stacks for their own analysis of data. This is what has been done for all the problem sets in FScN 5555 and 8312. 3. Given 2 above, the same thing can be learned in a spread sheet. Spreadsheets are higher order languages using math and english notation to do the same thing. Once they learn to do spreadsheets they have a much better way to handle their own data. They should learn at least Excell or Lotus. 4. Many of they blindly use both linear and non-linear regression packages without understanding them. Again simple techniques need to be understood in programming so they see why it works? For example why do most non-linear packages use the derivative method, ie the proposed equation is differentiated for each constant and then the method finds when a change in one constants causes a minimum change in all other consatants for all values of Y as a function of X. As noted by J. Pojman on the computerchem conference in regards to numericall analysis" Knowing a great deal about the methods is not chemistry. However anyone using numerical analysis should be aware of the limitations of computers, even if they could not write the programs themselves. That's what professional progranmmers are paid to do". How many of us complain about the number of significant figures handed in on problem sets, thats at least one complaint we did not have back in the days of the slide rule. There are many good packages for non-linear regression today including Sigmaplot (both Mac and IBM) and Excell as well as the new Mac and IBM versions of JMP which is a PC based SAS. They should be able to use this. This would then get them exposed to using the PC for statistical data analysis. I presume that they do this in stats classes, ie use the PC although some places it is still done on the mainframe in a dinosaur like fashion unless they use a network to transfer in the data. 5. They also should learn one or two graphics packages and feel comfortable in making pie charts, bar graphs with error bars, and scatterplots with confidence limits. They should also be able to understand the meaning of the constants when the graphics package runs a polynomial or exponentila regrassion of the data for plotting. This can be learned in many packages such as Sigmaplot and the Spreadsheets but also in Deltagraph, Kaleaida graph, Cricket Graph, Plot It etc. 6. They should learn some drawing program. Many are available such a Canvas, McDraw etc. This insures that they can handle illustrations and download Clipart into their drawings for exporting to a printer or to a word processing document. 7. They should have competency in using a visual aids graphics program in color, ie a slide and overhead making program. This will be essential to insure they have excellent communications skills. One of the best is PowerPoint but even newer ones are coming on the market that will incorporate run time movies and sound. 8. They must learn how to use e-mail and use a network system by logging onto the internet and use the resources like Archie, Veronica and Jughead to find and retrieve information. The minimum should be experience with something like Fetch, Gopher or Telenet. They should learn how to access peripherals on a network and transfer data. 9. They should know how to use a word processor inconjuction with an equation editor and possibly a chemical drawing program. Of the latter, there are many different ones available such as Mathcad, Chemwindows, Mathtype, Chemintosh etc. For the word processing I prefer Word for both the IBM and Mac environments since they can easily transfer formatted documents between them. The major questions any department must need to adress to implement this is whether: 1. we should be teaching this ourselves or should the "XXX" department do it? If us, do we create a regular course. Who will teach it? If service (education) is our goal, shouldn't we be implementing this now? Can we hire someone outside to do this? Why not have a yearly seminar course (ie freshman, sophomore etc) that is used to teach these skills? 2. We should be using this stuff ourselves (perhaps not all of us doing programming) and certainly incorporate and require the use of the skills where appropriate in all courses. 3. We should insist that students hand in homework by email to save time and paper. Word 5.1a allows the marking of annotated notes in the original document on disk so that you can correct in this way. email allows the transfer of attached documents with graphics. 4. We should be using spreadsheet analysis in any of our courses where data analysis is required. We can learn this easily and set up our test scores on a speardsheet. That is a quick way to learn about some of the imbedded macros. 5. All faculty should have as a minimum working knowledge of word processing, graphing, spreadsheets using some type of data analysis and visual aid programs. Perhaps we need to teach us first. Who will do this? If we don't then our students will be at a disadvantage in other courses which require such skills and certainly when they eave for a job.Even US highschool students are learning these skills. We cannot tolerate the situation where we will be using the equivalant of a sliderule when the students are using the Thinkpad or Powerbook. We should discuss this at the next faculty meeting and certainly in the program committee meetings. The Computer committee should survey the courses in the department to findout what is being done and used. Dr Ted Labuza tplabuza@EPX.CIS.UMN.EDU or tplabuza@staff.tc.umn.edu Department of Food Science & Nutrition 136 AMLMS U of Minnesota St Paul, MN 55108 Home Fax 612-633-0627 Voice 612-624-9701 UM Fax 612-625-5272 "SURFING THE WAVES OF CYBERSPACE" ___ || | \| |__| | ---|---- / \ |___/__/\_____/ \ /\ /\ /\/\/\/\ / \ /\ / \/ \ /\/ \ / \/ \/ \/ \/ Time is Nature's way of keeping everything from happening at once". Except in my office which exists in a time warp!!! ========================================================================= Date: Tue, 22 Jun 1993 15:42:27 +0000 From: Ray Johnson Subject: Re: Comp. Course for Chem. Majors In answer to the question about "Computer Courses courses for Chem. Majors" ( Doug Coe), I would say what he has planned is similar to what I currently do in a course called Computer Applications in Chemistry (2 hours). Since my course started in 1974, and is offered every other year, it has never been the same course twice. It started as a programming course using mainframes (" Fortran and Basic to solve chemical problems"), later it was more of a data analysis and numerical analysis course using these languages along with a few quantum mechanical calculations thrown in, was later modified to be carried out on IBM-PC's and also used these and Apple-II's for data acquisition and analysis. However the last two times I have offered the course it has emphasized applications packages, and now has very little traditional programming in it. The college spent a great deal of money buying Macintosh Computers so now most of the applications packages are on Mac II's with instruments interfaced to IBM clones. The last time I offered the course ( Spring 1992) I covered wordprocessing (Microsoft Word), spreadsheets (Excel), drawing (Chem Draw and ChemIntosh for chemical drawing and Canvas and a CAD program to draw instruments, circuit diagrams, etc.), statistics (simple stuff with Cricket Graph and more complex with Stat View), advanced mathematics using Mathematica (I spent 3 weeks using the book by Ellis and Lodi, which is a good intro. to Mathematica in a tutorial format, students did equation solving, sets, 2D and 3D graphing, numerical and symbolic differentiation and integration, curve fitting, matrix operations, statistical functions), literature searching using STN, an overview of DOS commands and Windows, how to use a scanner and OCR (Wordscan by Calera), and a limited amount of programming (Quickbasic) since I still can't face up to teaching a computer course with absolutely no programming. Students were also required to set up an experiment and run it on an HPLC (Waters-Maxima) and an FTIR (Bio-Rad- Galactic Software) and to examine effects of resolution, S/N, smoothing, deconvolution, apodization functions, zerofill, etc. on an infrared spectrum. Students take this course at the same time as they take Physical Chemistry lab and they are required to incorporate the techniques that they have learned into their lab reports for P. Chem. I have also used several specific application programs over the years (SpectraCalc, NMR and IR simulators, Huckel MO Programs come to mind but there have been many others). These programs usually depend on what is new at the time. Since the last time I taught the course we now have e-mail and Internet so I plan to include these next Spring. We have also purchased HyperChem (by Autodesk) and I can't wait to include many good things from it into the course next spring. I have also taught students how to add memory, change boards and hard drives etc. (usually not a planned part of the course, simply fixing whatever broke). To anyone who wants to offer this type of course I would say: 1. Plan to revise the course every time you offer it because the hardware and software changes every year. 2. I have taught the course for 18 years and it is more fun to teach than any other course (and much more fun now, with applications programs, than it ever was in the days of Fortran and Basic). Ray Johnson Hillsdale College Hillsdale, MI 49242 ray.johnson@ac.hillsdale.edu ========================================================================= Date: Tue, 22 Jun 1993 14:57:47 +22306404 From: "Dr. John A. Pojman" Subject: Re: Gooey Computing In-Reply-To: <9306221950.AA01805@umd5.umd.edu> from "Jack Martin Miller" at Jun 22, 93 03:19:18 pm Jack Martin wrote: > For the rodentphobes, any decent program has keyboard alternatives to > manipulation of rodents, so rodophobia is no excuse not to make use of a > GUI with WYSISYG capabilities. > His comment about fear for mice prompts a question: Do faculty not like the Mac/Windows mouse and menus approach simply because they did not grow up playing video games? When teaching a workshop, I found that most faculty had a heck of a time manipulating the mouse, a problem I have never seen the average student have. If my hypothesis is correct