From stephan.irle@itc.univie.ac.at Mon May 16 04:54:47 1994 Received: from itc.univie.ac.at for stephan.irle@itc.univie.ac.at by www.ccl.net (8.6.4/930601.1506) id EAA02870; Mon, 16 May 1994 04:27:05 -0400 Received: from retsina.itc.univie.ac.at. (retsina.itc.univie.ac.at) by itc.univie.ac.at (5.65c/ITC-Vie(tk)-1.1m) id AA15533; Mon, 16 May 1994 10:27:02 +0200 Received: by retsina.itc.univie.ac.at. (5.65c/ITC-Vie(tk)-1.1s) id AA23543; Mon, 16 May 1994 10:22:00 +0200 From: stephan.irle@itc.univie.ac.at (Stephan Irle) Message-Id: <199405160822.AA23543@retsina.itc.univie.ac.at.> Subject: Benzenide Anion To: chemistry@ccl.net (Post Articles to CCL) Date: Mon, 16 May 1994 10:21:59 +0100 (MESZ) Organization: Institute of Theoretical Chemistry, University of Vienna Phone: (+43/1) 40480-670, priv. 423499 Postal-Address: Waehringer Str. 17, A-1090 Wien, Austria Private-Address: Speckbachergasse 30/23, A-1160 Wien, Austria X-Mailer: ELM [version 2.4 PL20] Content-Type: text Content-Length: 944 Dear netters, 16 years ago, A.L. Hinde, D. Poppinger and L. Radom published an "Ab Initio Study of the Benzenide Radical Anion" (JACS 100 (1978), pp 4681-4685). They pointed out that due to Jahn-Teller theorem, this system has to be distorted towards D2h symmetry (with electronic states ^2B_1u and ^2A_u, coming from occupancies of the two degenerate LUMOs, where the first was found to be slightly more stable). In JACS 102 (1980) pp 3370-3376 the same authors claim that both states are connected by a monotonic energy path. But due to the different symmetries both states are not allowed to mix, and therefore it is not clear to me how there can be a monotonic path. Does vibronic coupling allow for breaking the symmetry rule? If you have an idea what is going on in this complicated system, please mail to the address given below. Thank you in advance -Stephan-Irle--stephan@itc.univie.ac.at----------------------------------------- From ipcakc@vigyan.iisc.ernet.in Mon May 16 05:54:47 1994 Received: from relay1.UU.NET for ipcakc@vigyan.iisc.ernet.in by www.ccl.net (8.6.4/930601.1506) id FAA03421; Mon, 16 May 1994 05:42:01 -0400 From: Received: from iisc.ernet.in (via iisc.iisc.ernet.in) by relay1.UU.NET with SMTP (5.61/UUNET-internet-primary) id AAwqcs23170; Mon, 16 May 94 05:41:56 -0400 Received: by iisc.ernet.in (ERNET-IISc/AT&T UNIX SYS V.3.2) id AA00312; Mon, 16 May 94 14:57:37 EDT Received: by vigyan.iisc.ernet.in (smail2.3) id AA28242; 16 May 94 13:56:25 EST (Mon) To: CHEMISTRY-REQUEST@ccl.net Subject: how to get Cc: CHEMISTRY@ccl.net Date: 16 May 94 13:56:25 EST (Mon) Message-Id: <9405161356.AA28242@vigyan.iisc.ernet.in> Could you please tell me how to get the positions.offered file? I do not have ftp facility here. D.Sengupta ipcakc@ipc.iisc.ernet.in From GRELA@ch.pw.edu.pl Mon May 16 09:55:10 1994 Received: from io.coi.pw.edu.pl for GRELA@ch.pw.edu.pl by www.ccl.net (8.6.4/930601.1506) id JAA05780; Mon, 16 May 1994 09:32:12 -0400 From: Received: from mailgw.ch.pw.edu.pl ([148.81.69.10]) by io.coi.pw.edu.pl with SMTP (5.59/1.63.0, rha) id AA15381; Mon, 16 May 94 15:25:51 +0200 Received: From WCHEM/WORKQUEUE by mailgw.ch.pw.edu.pl via Charon 3.4 with IPX id 100.940516153114.704; 16 May 94 15:24:14 -0500 Message-Id: To: CHEMISTRY@ccl.net Date: 16 May 94 15:31:13 CET Subject: MSDS telnet address... X-Mailer: Pegasus Mail v2.1a. Hi! Some time ago I connected to Material Safety Data Sheets (MSDS) telnet server. I would appreciate if someone write to me what is the present ^^^^^^^ address (IP number) of MSDS via telnet or address of similar service in Internet. Thanks! -==--==--==--==--==--==- Karol GRELA Politechnika, Wydz. Chemiczny Noakowskiego 3, 00-664 Warszawa GRELA@CH.PW.EDU.PL -==--==--==-< >-==--==--==- From nystrom@ludwig.psc.edu Mon May 16 09:58:42 1994 Received: from ludwig.psc.edu for nystrom@ludwig.psc.edu by www.ccl.net (8.6.4/930601.1506) id IAA05416; Mon, 16 May 1994 08:57:31 -0400 Received: by ludwig.psc.edu (5.65/Ultrix3.0-C 11/12/92 nydick) id AA24191; Mon, 16 May 1994 08:57:27 -0400 From: nystrom@ludwig.psc.edu (N.A. Nystrom) Message-Id: <9405161257.AA24191@ludwig.psc.edu> Subject: Re: CCL:GAMESS and the Cray-T3D To: hpritcha@cco.caltech.edu Date: Mon, 16 May 1994 08:57:26 -0400 (EDT) Cc: chemistry@ccl.net In-Reply-To: <2r15b5$2hn@gap.cco.caltech.edu> from "hpritcha@cco.caltech.edu" at May 14, 94 00:17:41 am X-Mailer: ELM [version 2.4 PL17] Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Length: 778 Hello Howard, Thanks for the interest in GAMESS on the Cray T3D. Its parallel incarnations are available for production calculations on the Pittsburgh Supercomputing Center's Cray T3D and Alpha Cluster. Is there anything in particular that you'd like to know? Thanks, Nick Nystrom nystrom@psc.edu ================================================================================ Nicholas A. Nystrom, Ph.D. email: nystrom@psc.edu Scientific Specialist Pittsburgh Supercomputing Center phone: +1 412-268-1592 Mellon Institute Building fax : +1 412-268-5832 4400 Fifth Avenue Pittsburgh, PA 15213 USA ================================================================================ From vijaya@chem.psu.edu Mon May 16 11:55:05 1994 Received: from psuvax1.cse.psu.edu for vijaya@chem.psu.edu by www.ccl.net (8.6.4/930601.1506) id LAA07358; Mon, 16 May 1994 11:19:48 -0400 Received: from portal.chem.psu.edu ([128.118.30.200]) by psuvax1.cse.psu.edu with SMTP id <292874>; Mon, 16 May 1994 11:19:25 -0400 Received: from felix.chem.psu.edu by portal.chem.psu.edu (AIX 3.2/UCB 5.64/RS6000-Server-1.0) id AA20086; Mon, 16 May 1994 11:19:28 -0400 Received: by felix.chem.psu.edu (4.0/Client-1.0) id AA05044; Mon, 16 May 94 11:19:52 EDT Date: Mon, 16 May 1994 11:19:52 -0400 From: "Vijaya Kumar Pidugu" Message-Id: <9405161519.AA05044@felix.chem.psu.edu> To: chemistry@ccl.net Subject: zeolite On Fri, 13 May 1994 I posted the following message: > Is there an ftp site to obtain the geometries of zeolites. > I need the coordinates of the atoms. > Thanks > vijaya@chem.psu.edu > In the last two days I have received atleast 15 - 20 mails asking me to send the results of my query. Unfortunately these are the only mails I received regarding my query. If I do receive any helpful information I will post it to the CCL (If I do receive any!!!). sincerely vijaya@chem.psu.edu From PHYSPLMP@MIZZOU1.missouri.edu Mon May 16 13:56:08 1994 Received: from MIZZOU1.missouri.edu for PHYSPLMP@MIZZOU1.missouri.edu by www.ccl.net (8.6.4/930601.1506) id NAA09457; Mon, 16 May 1994 13:46:52 -0400 From: Message-Id: <199405161746.NAA09457@www.ccl.net> Received: from MIZZOU1 by MIZZOU1.missouri.edu (IBM VM SMTP V2R2) with BSMTP id 1169; Mon, 16 May 94 12:43:58 CDT Received: by MIZZOU1 (Mailer R2.10 ptf000) id 7549; Mon, 16 May 94 12:43:57 CDT Date: Mon, 16 May 94 12:24:17 CDT To: chemistry@ccl.net Subject: G92 problem Hi Netters, I'm having a problem with G92 mounted on a RISC/6000/590 machine. I am attempting to run an MP4SDTQ single point using MO's 15 to 196 for correlation. The default setup is MaxDisk=250000000 and SCF=Direct (the disk is set to the maximum of our physical disk). The problem occurs after completion of the SCF energy with messages Semi-Direct transformation. Usinging 298129326 words of disk,even though MaxDisk= 250000000 ModeAB= 2 MOrb= 18 LenV= 11379966 LaSXX= 50679171LtotXX= 50679171LenRXX=50679171 LTotAB= 51502527 MaxLAS= 84032676 LenRXY=84032676 NonZer= 101358342 LenScr= 163417479 LnRSAI= 0 LnScr1= 0 MaxDsk= 250000000Total= 298129326 File extend in NtrExt1 failed. File extend in NtrExt1 failed. Invalid argument Several questions: Why did Gaussian try to allocate beyond the maximum disk size? Why did the calculation change to semi-direct? Can anyone suggest a workaround other than "punting" or trying to obtain 'off-site' computer time? Thanks for any help. Pat Plummer Physplmp@MIZZOU1 From gene@jersey.cray.com Mon May 16 18:54:56 1994 Received: from cray.com for gene@jersey.cray.com by www.ccl.net (8.6.4/930601.1506) id SAA12853; Mon, 16 May 1994 18:12:13 -0400 Received: from jersey.cray.com by cray.com (Bob mailer 1.2) id AA18809; Mon, 16 May 94 17:12:05 CDT Received: by jersey.cray.com id AA09249; 5.0/CRI-5.6; Mon, 16 May 94 18:12:02 EDT Date: Mon, 16 May 94 18:12:02 EDT From: gene@jersey.cray.com (Eugene Fleischmann) Message-Id: <9405162212.AA09249@jersey.cray.com> To: PHYSPLMP@MIZZOU1.missouri.edu Cc: chemistry@ccl.net, gene@jersey.cray.com Subject: RE: G92/MP4 Problem Content-Length: 2885 To: PHYSPLMP@MIZZOU1.missouri.edu Subject: Re: CCL:G92 problem > From chemistry-request@ccl.net Mon May 16 14:16 EDT 1994 > To: chemistry@ccl.net > Subject: CCL:G92 problem > > Hi Netters, > I'm having a problem with G92 mounted on a RISC/6000/590 machine. I am > attempting to run an MP4SDTQ single point using MO's 15 to 196 for correlation. > The default setup is MaxDisk=250000000 and SCF=Direct (the disk is set to the > maximum of our physical disk). The problem occurs after completion of the > SCF energy with messages > Semi-Direct transformation. > Usinging 298129326 words of disk,even though MaxDisk= 250000000 > ModeAB= 2 MOrb= 18 LenV= 11379966 > LaSXX= 50679171LtotXX= 50679171LenRXX=50679171 > LTotAB= 51502527 MaxLAS= 84032676 LenRXY=84032676 > NonZer= 101358342 LenScr= 163417479 LnRSAI= 0 > LnScr1= 0 MaxDsk= 250000000Total= 298129326 > File extend in NtrExt1 failed. > File extend in NtrExt1 failed. Invalid argument > > Several questions: Why did Gaussian try to allocate beyond the maximum > disk size? > Why did the calculation change to semi-direct? > Can anyone suggest a workaround other than "punting" or trying to obtain > 'off-site' computer time? > Thanks for any help. > Pat Plummer > Physplmp@MIZZOU1 > Prof. Plummer, > Several questions: Why did Gaussian try to allocate beyond the maximum > disk size? The amount of disk storage is determined by the number of integrals involving three virtual orbitals, regardless of MAXDISK. > Why did the calculation change to semi-direct? According to the G92 User's Guide, p. 93, the default for the higher correlated methods is the semi-direct algorithm. The SCF part of the calculation may still be performed using the direct algorithm, however, once the SCF wavefunction has been calculated the MP4 calculation needs to transform the AO integrals to the MO basis. If you used "direct" in the SCF, you have to recalculate the AO integrals as needed and transform a portion to the MO basis (semi-direct transformation), or generate the full set of MO integrals (TRAN=FULL), which requires considerable more disk space. > Can anyone suggest a workaround other than "punting" or trying to obtain > 'off-site' computer time? You could send me the input deck via e-mail, and I will calculate your single-point energy for you on one of our C90 systems. A system having 104 basis functions required only 760 CPU seconds; since yours is twice as large (roughly) I would guess that it would take four times as long, yet still less than one hour. Gene ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Eugene D. Fleischmann, Ph.D. Computational Chemist Cray Research, Inc. (609) 252-1250 121 Commons Way gene@jersey.cray.com Princeton, NJ 08540 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ From SUTJIANTO@cmt.anl.gov Mon May 16 19:54:56 1994 Received: from anlcmt.cmt.anl.gov for SUTJIANTO@cmt.anl.gov by www.ccl.net (8.6.4/930601.1506) id TAA13374; Mon, 16 May 1994 19:48:49 -0400 Date: Mon, 16 May 1994 18:48:34 -0500 (CDT) From: Amin Sutjianto To: chemistry@ccl.net Message-Id: <940516184834.2320a38d@cmt.anl.gov> Subject: LDA code for solids and surfaces Hi Netters, I am interested in using the LDA code for simulating solids and surfaces. Could you give me information whether there is any free LDA code including the input and output of the test-run, either on SUN or IBM RS/6000. Thank you very much. Amin From CCLSurv@redvax1.dgsca.unam.mx Mon May 16 19:58:07 1994 Received: from redvax1.dgsca.unam.mx for CCLSurv@redvax1.dgsca.unam.mx by www.ccl.net (8.6.4/930601.1506) id TAA13391; Mon, 16 May 1994 19:52:59 -0400 From: Message-Id: <199405162352.TAA13391@www.ccl.net> Received: from standard-input by redvax1.dgsca.unam.mx; Mon, 16 May 94 17:46:59 CST Date: Mon, 16 May 94 17:46:59 CST Sender: CCLSurv@redvax1.dgsca.unam.mx To: chemistry@ccl.net Subject: Survey on impact of CCL PLEASE RESPOND TO THE FOLLOWING MESSAGE TO CCLSurv@redvax1.dgsca.unam.mx, NOT TO THE LIST!!! Survey on the impact of the Computational Chemistry List The Computational Chemistry List (CCL) has been for many a valuable resource and a venue for a diversity of discussions. The list has grown steadily in subscriber and recipient numbers, interesting and sometimes heated debates have taken place, and consideration has been given recently to previously unexplored issues like the perspectives for fully electronic publications and similar ones. It may be time to ask ourselves what actual impact the CCL has had, is having, and can further have on our lives, our work, the way we use bandwidth, and the like. To that purpose I have proposed to undertake a survey of the List users with the general goal of finding out facts and opinions about electronic services and their impact on our work. I have asked the List coordinator, Jan Labanowski, if this is a valid use of CCL bandwidth and we have agreed to ask a few more questions, relevant to the List's operation and its possible improvement, in order not to bother you with TWO surveys. In this respect, the added goals are to find if the List is useful as is, what and for whom is most and least useful, what should be scratched, and how some possible improvements might work out. My own interest in the results of this survey is more on the side of understanding its workings and their meaning as underpinning for the future of academic communication. The results of the survey will be carefully analyzed, which may take some time, and I intend to publish the results of the analysis (foreseeably in an ACS monograph) as well as post them and make them available for downloading. Some aspects of the survey may be flawed from the beginning, mainly as we will not (foreseeably) get response from people who have not subscribed or have dropped out, for any of a number of reasons. However, much can be learned from your answers! It is important that everybody respond to make the survey statistically sound and not biased by "aggressive minority opinion". Please let us know better just how the CCL is working, if and how much it has changed the way you work, communicate, and teach, and understand what is to be done next. I beg you to answer the questions below as objectively as possible. I will make my best efforts to keep the responses confidential (I plan to share them with Jan WITHOUT RESPONDENT NAMES AND ADDRESSES; if you wish otherwise and say so in your answer message I will oblige). I will understand that you speak for your persons and not for your organizations unless the contrary is explicitly stated. All answers are nonbinding. Now look: the list is international, legal issues may get real tangled, so let us all assume that I will keep faithfully to my best knowledge of ethical and legal standards and we all try to get information that will benefit everybody, OK? If you are impeded to respond to any of the questions because of considerations of liability etc. do tell me so! Again, please address your answers/comments/questions to me and not to the list - lest you really want everybody to hear you! AT THIS POINT IN TIME, PLEASE READ THE SURVEY, BUT DO NOT RESPOND TO IT! PLEASE ONLY TELL ME WHAT YOU THINK IS MISSING, WRONGLY STATED, ETC., AND WHETHER YOU WOULD ACTUALLY RESPOND TO THE SURVEY ON RECEIVING IT. Survey on the use of the Computational Chemistry List (CCL). I. USER CHARACTERIZATION: This part is intended to characterize the respondent. It is important to know ourselves better as a group, and so we can crossreference other responses against particular groups of subscribers. I.1) How long have you been using CCL (few months, a year, more than a year)? I.2) What is the character of your organization (e.g., for- profit/commercial, academia, secondary shool, government, military, other non-profit, self-employed consultant, etc.)? I.3) Country where you receive the CCL messages: I.4) Type of position (e.g, undergraduate student, graduate student, postdoctoral associate, assistant professor, research scientist, senior research scientist, management, sales associate, etc.): I.5) Approximate number of employees in your entire organization and its main line of activity (e.g. 2000/college, 1000/pharmaceutical,20000/petroleum, etc.): I.6) Your field(s) of activity (please be specific: e.g, crystallographer, molecular biologist, quantum chemist, medicinal chemist, etc.): I.7) Is your work mainly computational or experimental or both? Do you develop software? I.8) What computational chemistry methods do you use frequently (ab initio, molecular graphics, molecular mechanics, kinetics simulation, etc.)? What other computational work do you do frequently?: I.9) What computer(s) do you use to read the messages, and how are you connected to the network (e.g. PC via 2400 modem, Mac via 9600 modem, RS/6000 on Ethernet, etc.). What is the range of network access available to you (e.g., e- mail only, ftp, remote logins, gopher, WWW, Usenet, etc.). I.10) How did you learn about the list (e.g., from a friend, my thesis advisor, from archie, by searching gopherspace, etc.) I.11) Could you briefly describe your work (say 5-10 lines): II. CCL IMPACT ON YOUR RESEARCH/LEARNING/CAREER: Please be as specific as you can be in answering these questions. The answers will be used to judge if the list is a useful resource. II.1) Please tell how, and how many times, the messages on CCL, answers to your CCL queries, or CCL archives helped you in your research. List all instances you can remember (e.g., you acquired particular software based on CCL messages twice, you selected computer hardware based on information from CCL, on three occassions you received needed parameters/data, five times you were directed to read particular paper based on CCL information, you changed your approach/method once based on CCL messages, comments on the CCL contributed to the discussion part in two of your papers/reports, etc.): II.2) How many times did you find about a conference via CCL and attended it as a result? II.3) I started a collaboration with a subscriber of the list as a result of exchanges on the CCL. II.4) Did you find a position or a candidate for the position using the positions.offered file in CCL archive? Did you seek a position in particular organization/group based on messages posted to the list? II.5) Add any comments about benefits of the list in your career: III. IMPACT ON TEACHING: Answer these questions if you are teaching or if you are involved in intracompany training. Please be specific and add as many comments as you wish. III.1) What subject do you teach, is it an undergraduate/graduate/professional course? III.2) Has the list had any impact on the contents of your courses (e.g., you used materials/examples/opinions from messages or CCL archives in your course, you revised/created curriculum/syllabus based on CCL material, you suggested a graduate project based on CCL postings, etc.): III.3) Do you encourage your students to subscribe to the list or forward material from the list to them? IV. YOUR PARTICIPATION IN THE LIST: Please supply the best estimates. We understand that they are approximate. IV.1) How many questions have you posted to the list? How many answers or opinions did you post to the whole list? How many answers did you send directly the participants? IV.2) How many answers/opinions did you receive to your personal mailbox instead of list as a result of your question/opinion? Did you ever receive a response with the restriction "for your eyes only"? IV.3) How many people have reprimanded/flamed you for your posting(s) to the list? For what? Have you reprimanded/flamed somebody? For what? IV.4) What is your estimate of the portion of suitable messages, i.e., messages which adhere to the list rules (e.g.: 3/7, 10%)? IV.5) What portion of messages on the list do you find relevant for your own research/teaching/development/administration? Do you forward on occassion messages from CCL to people who are not subscribed? Did you encourage someone to subscribe? IV.6) How do you choose messages to read? What portion of messages do you delete/skip before reading based on the Subject: field? What portion of messages do you delete/skip after reading the first few lines? IV.7) How do you receive messages (e.g., you are subscribed to the list directly, you are subscribed to a local/internal list/newsgroup which receives messages from CCL, you are not subscribed but view archived messages via gopher/WWW)? IV.8) How frequently do you scan CCL messages and when (e.g., as they arrive, more than once a day, once a day in the evening, once a week on weekend)? How much time on average do you spend reading messages? IV.9) Have you ever searched the CCL archives, and if not why? Did you access CCL archives and in what way (e.g., e- mail, ftp, gopher/WWW)? HOW WOULD YOU IMPROVE CCL? Provide your ideas assuming that resources are not an issue and everything is possible. Try to provide ideas, and methods of implementation, though you need not be too detailed/technical. Please note that some examples given here are very controversial. V.1) How would you improve the list if it stayed unmoderated? Examples (do not be suggested by them, unless you agree with them 100%). a) Split it into smaller lists: ccl-ab-initio, ccl- semiempirical, ccl-force-fields, ccl-molecular-graphics, ccl-???. To which smaller lists would you subscribe yourself? b) Allow anonymous postings if someone chooses to do so. c) Restrict the scope of messages even further than in the rules. d) Add specific files to the archives (which?). e) Add additional services (which?). f) Each subscriber would provide a list of keywords/regular-expressions and would receive only messages which contain/satisfy the keywords/regular-expressions. g) Allow only 10 messages a day, and queue the messages which are over the limit. V.2) How would you improve the list if it was moderated? Please, share your ideas. For example (only an example): a) 24hrs/day monitoring of the list by anonymous moderators residing in different time zones, so the messages are essentially approved/rejected in a real time. b) provide a once a day digest of subjects and a mechanism for retrieval of full messages via e-mail, ftp, gopher, www. c) the moderator(s) beside rejecting/approving messages would classify them into topics (e.g., quantum chemistry, molecular mechanics, molecular graphics, QSAR/QSPR, hardware, drug design, [what topics?] and subscribers could choose which topics they want to receive. Which topics would you subscribe to? d) Provide a rotating body of volunteers in their respective fields, who would respond to the simple/trivial questions, forwarded to them by moderators (e.g., would point to a file already residing in CCL archives, or explain that HONDO is an ab initio program). e) Split the list into "introductory" and "advanced" and moderator(s) will assign messages to the appropriate category. V.3) Should the list be available as Usenet newsgroup? Why? V.4) Should the list be monitored/censored? Why and by whom? Would you be willing to act as a moderator of the list, how much time you would contribute and under what conditions (remember, your answer is nonbinding, and anonymous)? V.5) How do you see a development of networks/network services in the future (say, 10 years)? VI. USE OF OTHER RESOURCES Please share all your experiences and use of resources other than CCL. VI.1 What other Internet and network resources do you use and how heavily/frequently (e-mail, library catalogues, gopher, WWW, newsgroups, commercial databases, stock prices, commercial news, listservers/electronic-lists, electronic submissions of manuscripts to journals/books/conferences, etc., etc.). How much time do you spend on using the network resources? VI.2 How much time do you spend on reading CCL list and CCL archives compared to other network resources? VII. MEMORABLE MOMENTS. VII.1 What do you remember as the most useful/most pleasant/most unpleasant/most obnoxious event on the CCL (and/or other Internet services)? VIII. COMPARATIVE RATING. VIII.1 Please rate the CCL as to usefulness, effort/benefit ratio, etc. in comparison with other online and offline services and sources of information. IX. PLEASE ADD WHAT WE MISSED IX.1 What questions/topics should have been included in this survey but were missed? IX.2 Share any thoughs concerning the CCL list which were not addressed in the survey. ---------============== SURVEY END===============------------ THANKS FOR YOUR KIND COLLABORATION! (Again: please respond to CCLSurv@redvax1.dgsca.unam.mx, NOT TO THE LIST) !!!!!! From hogue@canada.den.mmc.com Mon May 16 20:54:57 1994 Received: from canada.den.mmc.com for hogue@canada.den.mmc.com by www.ccl.net (8.6.4/930601.1506) id UAA13585; Mon, 16 May 1994 20:05:05 -0400 Received: by canada.den.mmc.com (4.1/1.34.a) id AA04061; Mon, 16 May 94 18:04:33 MDT Date: Mon, 16 May 94 18:04:33 MDT From: hogue@canada.den.mmc.com (Pat Hogue 1-2183) Message-Id: <9405170004.AA04061@canada.den.mmc.com> To: chemistry@ccl.net Subject: NiO Magnetic Transitions Has anyone ever noticed something like the following? Several metals, their oxides and both carbide and oxide ceramics per probed with pyridine usig temperature programmed desorption on the differential scanning calorimeter. A second set of samples were probed with diethylamine. Only one material desorbed both of these bases at the same temperature and, curiosly, at the same temperature at which the Neel magnetic phase transition occurs. This material was nickel monoxide and the temperature was 252 deg. C.