From sanja@indigo.irb.hr Mon Jun 20 10:22:34 1994 Received: from indigo.irb.hr for sanja@indigo.irb.hr by www.ccl.net (8.6.9/930601.1506) id JAA05776; Mon, 20 Jun 1994 09:59:57 -0400 From: Received: by indigo.irb.hr (920330.SGI/920502.SGI) for CHEMISTRY@ccl.net id AA12553; Mon, 20 Jun 94 16:00:33 +0200 Date: Mon, 20 Jun 94 16:00:33 +0200 Message-Id: <9406201400.AA12553@indigo.irb.hr> To: CHEMISTRY@ccl.net Subject: z-matrix_help Hy, can somebody provide me with z-matrix of C60 and C70 molecules. Thanx in advance. Sanja ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Sanja Sekusak Rudjer Boskovic Institute Phone: (385-41) 46 10 89 P.O.B. 1016 Fax: (385-41) 27 26 48 Zagreb, Croatia E-mail: sanja@indigo.irb.hr ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ From venkat@poly.chem.vt.edu Mon Jun 20 11:21:56 1994 Received: from vtucs.cc.vt.edu for venkat@poly.chem.vt.edu by www.ccl.net (8.6.9/930601.1506) id KAA06675; Mon, 20 Jun 1994 10:48:35 -0400 Received: from poly.chem.vt.edu by vtucs.cc.vt.edu with SMTP (1.37.109.8/16.2) id AA10051; Mon, 20 Jun 1994 10:48:39 -0400 Received: by poly.chem.vt.edu (5.51/5.17) id AA24305; Mon, 20 Jun 94 10:55:05 EDT Date: Mon, 20 Jun 94 10:55:05 EDT From: venkat@poly.chem.vt.edu (Venkat Vasudevan) Message-Id: <9406201455.AA24305@poly.chem.vt.edu> To: chemistry@ccl.net Subject: Dielectric Constant... Hi netters, I had posted an earlier mail asking for help to predict dielectric constants. I received answers to the effect that the closest to predicting dielectric constant (macroscopic property) is thru polarizability (microscopic property). Then one links polarizability to dielectric constant by Debye or Classius-Mossotti equation. As I said earlier, I want to predict dielectric constants(or polarizability) for fluorinated monomers in synthesis of polyimides. Can anyone suggest the methods (preferably semi-empirical) to predict polarizability and more importantly point out any published papers or reports discussing possible pitfalls and other criteria to be considered while evaluating this property. Can anyone suggest from their experience whether this is worthwhile? I would like to thank P.Th. van Duijnen for his suggestion to look into 'Thole's semi-empirical methiod. This mail is intended to find other methods and applications related to prediction of dielectric constants. If there were enough replies I will summarize it to the net. Thanks in advance. Venkat From Tim_Mitchell-1%notes@sb.com Mon Jun 20 13:21:38 1994 Received: from phinet.smithkline.com for Tim_Mitchell-1%notes@sb.com by www.ccl.net (8.6.9/930601.1506) id NAA09537; Mon, 20 Jun 1994 13:20:10 -0400 Received: by phinet.smithkline.com (5.57/ULTRIX-az-040392); id AA03808; Mon, 20 Jun 94 13:14:04 -0400 Received: by pho018.sb.com (IBM OS/2 SENDMAIL VERSION 1.2.15T (03/09/94)/1.0) id AA7252; Mon, 20 Jun 94 13:18:55 -0700 Message-Id: <9406202018.AA7252@pho018.sb.com> Received: from SB_PHARM_RD with "Lotus Notes Mail Gateway for SMTP" id 000003FECDD94B9485256074005F1495; Mon, 20 Jun 94 13:18:54 To: CHEMISTRY , charmm-bbs From: Tim Mitchell-1 Date: 20 Jun 94 18:18:35 ES Subject: Assessing Langevin Dynamics Calculations Mime-Version: 1.0 Content-Type: Text/Plain I've been running some Langevin Dynamics calculatios on the active site region on an enzyme. To tidy the results up (for publication), I would like to analyse my trajectories to get some feel as to the "quality" and stability of the calculations. Since the simulation is coupled to a heat bath, looking at the drift in temperature to estimate the stability of the calulation is a bit pointless. Any ideas ?? I'll summarise any to the nets. _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ _/ _____ ____ _/ SmithKline Beecham Pharmaceuticals Ltd _/ _/ / ___\\\\ _ \ _/ Brockham Park _/ _/ | |___ \\|_| | _/ Tim Mitchell, Comp. Chem. Betchworth _/ _/ \___ | | _ < _/ Phone: (0)737 36 4535 Surrey _/ _/ ____| | | |_| | _/ Fax: (0)737 36 4539 RH3 7AJ _/ _/ \____/ |____/ _/ E-Mail: Tim_Mitchell-1%notes@sb.com U.K. _/ _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ From figuei@lutece.rutgers.edu Mon Jun 20 14:21:41 1994 Received: from lutece.rutgers.edu for figuei@lutece.rutgers.edu by www.ccl.net (8.6.9/930601.1506) id NAA09896; Mon, 20 Jun 1994 13:32:59 -0400 Received: by lutece.rutgers.edu (931110.SGI/920502.SGI.ANONFTP) for chemistry@ccl.net id AA24925; Mon, 20 Jun 94 13:32:59 -0400 From: "Francisco Figueirido" Message-Id: <9406201332.ZM24923@lutece.rutgers.edu> Date: Mon, 20 Jun 1994 13:32:58 -0400 X-Mailer: Z-Mail (3.0.1 23feb94) To: chemistry@ccl.net Subject: Solvent Accessible Surface Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 Hello, Netters! I would like to know what algorithms for the calculation of solvent accessible surfaces are used most frequently. I would also appreciate information about programs (preferably free of charge) that implement these algorithms. Thanks in advance! From grechtst@pepvax.pepperdine.edu Mon Jun 20 16:21:57 1994 Received: from pepvax.pepperdine.edu for grechtst@pepvax.pepperdine.edu by www.ccl.net (8.6.9/930601.1506) id QAA13442; Mon, 20 Jun 1994 16:01:57 -0400 Received: by pepvax.pepperdine.edu (5.65c/IDA-1.4.4/Pep-5.1) id AA01789 for chemistry@ccl.net; Mon, 20 Jun 1994 13:04:19 -0700 From: Gregory Rechtsteiner Message-Id: <199406202004.AA01789@pepvax.pepperdine.edu> Subject: Summary for Law & Chemistry To: chemistry@ccl.net Date: Mon, 20 Jun 94 13:04:19 PDT X-Mailer: ELM [version 2.3 PL11] Hello: I must apologize for the delay in the summary. I DID send it when I sent that first message, but I forgo a subject line so it was rejected by the server. I am very sorry. The summary follows this text. I deleted most of the header garbage to save space. I hope that it is of help to those that are/were interested. [start summary] To all who inquired: Here is a condensed (sort of) version of my replies. Sorry if your letter is included. Best wishes, Gregory Start: I know of at least 5 lawyers who entered law with their chemical degrees in place. Write me off- list at clochmul@chem.duke.edu if you want details of thier current careers. CHL From: "Larry Wier" Organization: Saint Bonaventure University To: Gregory Rechtsteiner Date: Thu, 9 Jun 1994 15:42:51 EST Subject: Re: A Request Priority: normal X-Mailer: PMail v3.0 (R1a) Status: OR Greg, About three years ago one of our best students had the choice of law school or chem grad school and choose the former. My impression is that a need exists for lawyers with technical degrees/backgrounds. In fact you do not need a law degree to be a patent examiner (rather than a patent attorney). However, a bigger question is what do you want to do? which would you enjoy more? Possibly try to obtain some experience in a law office or whatever to help you make an informed choice (summer internships etc). Good luck. Larry > ============================== Dr Larry Wier Dept of Chemistry St Bonaventure University St Bonaventure, N.Y. 14778 (716)375-2116 INTERNET:lwier@sbu.edu ============================== Date: Thu, 09 Jun 1994 14:56:14 -0500 (EST) From: Rick Loncharich Subject: CCL:A Request. To: grechtst@pepperdine.edu Message-Id: <01HDCBLT2CCI005DOP@INET.D48.LILLY.COM> X-Vms-To: MCDEV1::IN%"grechtst@pepperdine.edu" Mime-Version: 1.0 Content-Transfer-Encoding: 7BIT Status: OR Patent law relating to the chemical synthesis of compounds and design of new compounds is one aspect of law most often mentioned. One must have a knowledge of, for example, chirality and prove that two isomers are different and each is therefore patentable. A friend of mine, once a computational chemist, is now a patent lawyer with a law firm in the DC area. Rick From: LONCHARICH RICHARD J (MCVAX0::RX82788) To: FOREIGN TRANSPORT ADDRESSEE (MCDEV1::IN%"grechtst@pepperdine.edu") Date: Thu, 9 Jun 94 16:24:13 -0400 From: longshot@chem.duke.edu (Brad Isbister) Message-Id: <9406092024.AA15088@canada.chem.duke.edu> To: grechtst@pepperdine.edu Subject: Re: CCL:A Request. Status: OR Gregory, My roommate in college got a dual degree in Chemistry and Psychology. He's just graduated from Hofstra Law School and is headed into the Patent Law division of a large NY firm. As I understand it, his particualr interest has to do with the copyright and patenting of computer programs. I'm sure that he could have gone into a more chemical field for patents or perhaps as in-house counsel for a chemical firm. Every business needs a lawyer, so there's always a way to combine the law with other interests. -Brad --------------------------------------------------------------------- Brad Isbister Duke University longshot@chem.duke.edu Department of Chemistry Computational/Biophysical chemistry E.J. Toone group Date: Thu, 09 Jun 1994 17:07:16 EDT From: slutsky@tesla.njit.edu To: grechtst@pepperdine.edu Message-Id: <0097FB42.771B5786.30249@tesla.njit.edu> Subject: Careers in patent law Status: OR Greg: I am the Chair of the Careers Committee of the Chemical Information Division of the American Chemical Society. I am also a career consultant to the ACS. There is a career consultant who is a patent attorney with a doctorate in chemistry. If you are a member of the ACS, you can request a career consultation. Please let me know if you are interested in a consultation. Bruce Slutsky New Jersey Institute of Technology slutsky@tesla.njit.edu 201-596-8498 Date: Thu, 9 Jun 94 16:12:19 CDT From: kostov@kff1.uchicago.edu (Konstantin Kostov) Message-Id: <9406092112.AA23792@kff1.uchicago.edu.PSNCL> To: grechtst@pepperdine.edu Subject: Patent Law Status: OR Hi, I think you would have very good oppurtunities. There are patent law firms that hire people only with technical degrees. There is competition from Ph.D's changing careers though, so maybe you should get a master's degree at first. take care Konstantin Date: Thu, 09 Jun 1994 14:21:55 -0700 (PDT) From: rg240@fermi.pnl.gov (Adrian Wong) Subject: chemistry and patent law To: grechtst@pepperdine.edu Hi Greg, my sister works for the Government Patent Office in the Organic Chemistry Division (this is back in Australia). She graduated with a B.Sc. with a major in Chemistry. In that organisation, a formal training in law is not required, however, it is highly desirable for getting promoted and also for moving into the private sector (where all the money is made!). Patent law, from what my sister tells me, is a *very* lucrative business for lawyers. The Patent Office permits and encourages its officers to go to Law School part-time. It's really the best of both worlds - you get a Law degree but, at the same time, you get paid for doing something in the industry. It's the contacts you make and your knowledge of the inner workings of the Government side of things, that really give your career a headstart. (Warning: Patent examining and verification is extremely tedious) Don't know the set up of the US Patent Office, but, check it out! From: ARTHUR HOAG Received: by wilbur.cac.psu.edu id ; Thu, 9 Jun 1994 17:02:34 -0400 Date: Thu, 9 Jun 1994 17:02:34 -0400 Message-Id: <199406092102.AA26414@wilbur.cac.psu.edu> To: grechtst@pepperdine.edu Subject: lawschool Status: OR Hello greg, I am a grad student at penn state in chemistry. I am finishing a masters in computational physical organic chemistry. I was in the ph.d. program but had long been interested in law, so I decided to go to law school. I am starting at NYU this fall. I was grateful to get into such a good school, and beleive that part of the reason I was accepted was because of my science background. As you might guess there are many areas of law where science is central, and these are beyond the obvious patent areas. I simply decided to go, took the lsat, applied, and got accepted. some people start with chem companies and have them put them through school, but you lose freedom this way. Recently on the the back cover of JACS there was an add placed by a new york law firm asking for ph.d's or ph.d candidates, to go to law school to become patent lawyers. this firm was willing to pay 55,000 a year plus your tuition. the catch is that you had to go to law school at night and work for them during the day. this may not sound so bad but I beleive none of the good law schools have night programs so you may be shit out of luck if you didnt want to work for this firm forever. Plus if you didnt like the firm, you are bound to them for some period of time regardless. I dont know how helpful this is, but I do know there are a lot of opportunities for chemists as lawyers. I would appreciate it if you would relay to me any interesting responses you receive. Good Luck in your decisions, Arthur Hoag axh14@wilbur.cac.psu.edu ph 814-863-7980 From: stanley Subject: Re: A Request X-To: CHEMICAL INFORMATION SOURCES DISCUSSION LIST To: Multiple recipients of list CHMINF-L Status: OR Damn straight, dude! There are some really gnarly salaries to be had in the area of patent law! Most, but certainly not all, have advanced degrees and/or industrial experience in chemistry or engineering -- even biology. Many also have been patent "agents" before passing the Bar. Some are employed by law firms specializing in patent law; many are employed by companies as internal counsel in their efforts to protect their "intellectual property", i.e. patenting, trademarks & copyright issues. Interesting combination of technical and legal activities and the combination of backgrounds makes these guys in high demand! Suggest you find some (I just saw the other response on the list) and talk to them. I'd bet you'll find they really like the prestige & $ despite the hard work to get there (and the long hours they face every day) Dale Stanley Avery Dennison Avery Research Center 2900 Bradley Street Pasadena CA 91107-1599 (818) 398-2579 FAX (818) 398-2553 Internet: STANLEY@AVERY.COM From: DORIS BLOCH 202-260-5457 Subject: Chemistry and Law To: grechtst@pepperdine.edu Message-Id: <01HDDAQJDUP88ZMWFV@mr.rtpnc.epa.gov> X-Envelope-To: grechtst@pepvax.pepperdine.edu EPA and other regulatory agencies here "inside the Beltway" certainly have a need for lawyers with chemistry and scientific backgrounds. We have a number of attorneys here in EPA who are heavily involved in writing regulation and developing policy. My guess is that those with the technical background are often more effective and certainly understand the issues better. A number of our high powered Chemistry Ph.D's have been lured away to corporate law firms where their corporate clients need their assistance in maneuvering through the regulatory maze. At least one of these folks is now in law school part time to acquire that degree. I know that the chemical associations and environmental groups also hire lawyers with scientific degrees. Last, but not least, you have already heard about the patent law area; another big field in Washington and in also in many large corporations. Supply and demand are in your favor. I will see if any of my lawyer buddies here have any additional comments or advice of merit. Date: Fri, 10 Jun 1994 10:14:33 -0400 Message-Id: <94061010143274@crnd02.cr.dow.com> From: fkvoci@dow.com (Fran Voci, TIS, 566 Bldg., Midland, 6-9444) To: grechtst@pepperdine.edu Subject: lawyers with chemistry backgrounds Greg, I see that there is a very high demand for lawyers with chemistry and engineering training. I am not sure if an advanced degree in chemistry is needed to go along with the law degree. There would certainly be opportunities in patent law, environmental law, and some areas of litigation law. Fran Voci Technical Information Services The Dow Chemical Company From: Gislason Jason To: Subject: Reply:Law In-Reply-To: In reply to your message of THU 09 JUN 1994 14:22:02 CDT The application of a chemistry degree to law is a very profitable endevor. I am a student at South Dakota State University studying chemistry. However, my undergraduate degree is in Aerospace Engineering from Auburn University. I had a professotr at Auburn, a Doctor Cochran, who has a Doctorate of Jurice Prudance and a Phd in Aerospace Enginnerin g He made a significant income as a consultant. Most lawyers are liberal arts majors and have no interest in science what so ever. Patent law is very scientifically intensive and profitable. The mojor part of the profit is in the investment of small upward coming companies started through a lawyers expert tutelage. Good luck on your endevors. Some day I hope to get a JD to go along with my hopefully pending Phd. Sioncerely, ?Jason Gislason e9av@sdsumus.sdstate.edu ps. Please send me any further information that you recieve on this subject. Thanks. Date: Fri, 10 Jun 94 13:22:12 -0400 From: Michael A. Peterson Message-Id: <9406101722.AA10710@ccrl.chem.iupui.edu> To: Gregory Rechtsteiner Subject: Re: CCL:A Request. Gregory I, too, have thought of patent law as a career. I am a graduate student in chem and will be finishing within the next year (hopefully!). Could you send me a summary of your replies? I have a friend who is starting law school this fall, and she is intending to go into patent law. She just received her BS in chemistry. She said she was told that, with a degree in chemistry, she would be hired very quickly (and very highly paid--$70k+) when she finished law school. If that info is accurate, it's rather enticing, eh? Michael -- Michael A. Peterson peterson@chem.iupui.edu Dept. of Chemistry ipmp500@indyvax.iupui.edu Indiana U Purdue U Indianapolis 402 N. Blackford Street (317) 274-9828 (Voice) Indianapolis, IN 46202 (317) 274-4701 ( FAX ) Date: Fri, 17 Jun 1994 10:41:07 -0400 From: Bob Zellmer Message-Id: <199406171441.KAA29976@phosphorus.mps.ohio-state.edu> To: grechtst@pepperdine.edu Subject: Re: CCL:A Request. Status: OR Gregory: A few years ago, a cousin of mine, who is a lawyer in California, told me that I should have stopped at my M.S. and gone to law school and speciallized in patent law. She seemed to think I would be able to write my own ticket (i.e. make big bucks) with a degree in chemistry plus the law degree. I don't know if this is still true or not, but I do know of a couple of graduate students who recently went this route. I think with the current job market I would definitely check into it if I were in your position. Bob Zellmer zellmer@sodium.mps.ohio-state.edu -- -------------------------------------------------------------------------------- Gregory A. Rechtsteiner Pepperdine University Research Assistant 24255 PCH # 572 Fax: 310.456.4314 (work) Malibu, CA. 90263 grechtst@pepvax.pepperdine.edu / grechtst@netcom.com -------------------------------------------------------------------------------- From blf2v@uva.pcmail.virginia.edu Mon Jun 20 17:27:19 1994 Received: from virginia.edu for blf2v@uva.pcmail.virginia.edu by www.ccl.net (8.6.9/930601.1506) id RAA14520; Mon, 20 Jun 1994 17:06:30 -0400 Received: from uva.pcmail.virginia.edu by uvaarpa.virginia.edu id aa23431; 20 Jun 94 17:06 EDT Received: by uva.pcmail.Virginia.EDU (8.6.8/1.34) id RAA26328; Mon, 20 Jun 1994 17:06:25 -0400 Message-Id: <199406202106.RAA26328@uva.pcmail.Virginia.EDU> From: "Barry L. Farmer" Date: Mon, 20 Jun 94 17:06:16 EDT X-Mailer: UVa PCMail 1.8.4 To: chemistry@ccl.net Subject: Call for Papers: Polymers, ACS Anaheim Cc: blf2v@uva.pcmail.virginia.edu C A L L F O R P A P E R S Joint Symposium ACS Polymer Division APS Division of High Polymer Physics Computer Modeling of Polymers in the Solid State ACS National Meeting Anaheim, CA April 2-7, 1995 Contributions are solicited in the applications of computer modeling to the study of polymers in the solid state. Contributions on crystalline, amorphous, elastomeric, liquid crystal, and biological polymers, as well as their chemical, mechanical, electronic and optical properties are welcome. Topics will include computational techniques such as molecular mechanics, molecular dynamics, molecular orbital, ab initio, monte carlo, mean field, genetic algorithms, QSPR and visualization. Studies combining computational and experimental approaches are also solicited. Invited Speakers R. Boyd J. Blackwell K. Dill W. Goddard M. Gordon S. Krimm D. Rigby H. Scheraga U. Suter K. Tashiro A. Windle D. Yoon G. Zerbi Symposium Organizers B. L. Farmer, University of Virginia (804-924-0605) e-mail: farmer@virginia.edu R. K. Eby, University of Akron (216-972-7539) e-mail: eby@eby.polymer.uakron.edu W. W. Adams, Air Force Wright Laboratory (513-255-2110x3171) e-mail: adamsww@ml.wpafb.af.mil R. Pachter, Air Force Wright Laboratory (513-255-2110x3158) e-mail: pachterr@ml.wpafb.af.mil Persons interested in contributing papers or posters to the symposium should contact the organizers as soon as possible. *-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-* Barry L. Farmer (804) 924-0605 FAX: (804) 982-5660 Materials Science, Room 201 UVA SEAS From hogue@canada.den.mmc.com Mon Jun 20 20:21:42 1994 Received: from canada.den.mmc.com for hogue@canada.den.mmc.com by www.ccl.net (8.6.9/930601.1506) id TAA15639; Mon, 20 Jun 1994 19:44:58 -0400 Received: by canada.den.mmc.com (4.1/1.34.a) id AA01924; Mon, 20 Jun 94 17:44:31 MDT Date: Mon, 20 Jun 94 17:44:31 MDT From: hogue@canada.den.mmc.com (Pat Hogue 1-2183) Message-Id: <9406202344.AA01924@canada.den.mmc.com> To: chemistry@ccl.net Subject: Hyperchem I want to endorse Hyperchem. After the disappointment of not producing expected results using the AM1 module of GEOMOS (QCPE 584) I was delighted when Hyperchem gave me what I knew from experiment had to be the answer. It really made my thesis work look good. Pat Hogue