From cohat182@ms15.hinet.net Mon May 19 03:43:19 1997 Received: from ms15.hinet.net for cohat182@ms15.hinet.net by www.ccl.net (8.8.3/950822.1) id DAA14774; Mon, 19 May 1997 03:26:40 -0400 (EDT) Received: from none ([168.95.94.162]) by ms15.hinet.net (8.8.5/8.8.5) with ESMTP id PAA14169 for ; Mon, 19 May 1997 15:26:54 +0800 (CST) Message-Id: <199705190726.PAA14169@ms15.hinet.net> From: "cohat182" To: Subject: Fw: cpu cooler Date: Sun, 19 May 1996 11:39:08 +0800 X-MSMail-Priority: Normal X-Priority: 3 X-Mailer: Microsoft Internet Mail 4.70.1157 MIME-Version: 1.0 Content-Type: text/plain; charset=BIG5 Content-Transfer-Encoding: 8bit ---------- > 寄件者: cohat182 > 收件者: > 主旨: cpu cooler > 日期: 1996年5月19日 AM 05:57 > > Dear Sir, > > We are writing to you with a desire to do business with you. > We are a leading manufacturer of CPU COOLER devices for both desktop > and notebook computers in Taiwan and are enjoying an excellent reputation > through many years' business experiences. > We own a R&D department with many fully qualified engineers to ensure > our products are of the best quality. > our CPU COOLERS use a special designed aluminum FLOATING > (CORRUGATE) FIN heat sink with light weight & thin construction > which has the highest heat dissipation. > Moreover our TAIL CLIP of the coolers also provide special design that > is very convenient to be setup and taken off within one second. > We are sure that you will be quite satisfied with our services and the > excellent qualities of coolers and prices. > If you are interested in our products, please advise us more details and > inform us your mailing address we will send our catalog to you immediately > or you can access to internet http://www.yoyee.com/eurotrade then click on > "search company" and then click on cohat enterprise inc showing in company > index you will find out our home page, many thanks. > > Yours Truly > > John Chen/sales manager > > Cohat Enterprise Inc. > No. 182 Chung-Shan 2 Rd., Lu-Chou > Hsiang, Taipei Hsien, Taiwan, R.O.C. > Tel:886-2-2830289 Fax:886-2-2826349 > E-Mail: cohat182@ms15.hinet.net From mn1@helix.nih.gov Mon May 19 11:43:23 1997 Received: from helix.nih.gov for mn1@helix.nih.gov by www.ccl.net (8.8.3/950822.1) id KAA16259; Mon, 19 May 1997 10:53:04 -0400 (EDT) Received: (from mn1@localhost) by helix.nih.gov (8.8.4/8.8.4) id KAA08845; Mon, 19 May 1997 10:53:04 -0400 (EDT) Date: Mon, 19 May 1997 10:53:04 -0400 (EDT) From: "M. Nicklaus" Message-Id: <199705191453.KAA08845@helix.nih.gov> To: CHEMISTRY@www.ccl.net Subject: SUMMARY: Problem with PES in G94 Cc: mn1@helix.nih.gov Dear CCL'ers, A few days ago, I posted the following question regarding a problem with PES in G94: Q: I'm having a problem with a (relaxed) Potential Energy Scan (PES) Q: in Gaussian 94. I'm trying to scan a torsion through 360 degrees Q: in 30 degree steps. After having completed the first four steps Q: (incl. the initial 0 deg. conformation), G94 crashed when I tried Q: to start the remainder of the PES from the initial torsion + 120 Q: degrees. Thanks to all who responded: Alex MacKerell, alex@mmiris.ab.umd.edu Wolfgang Roth "Eric V. Patterson" edgardo garcia The decisive hint came from Doug Fox : > From your description it sounds like you have kept the same > initial geometry and just advanced the redundant internal > description of the scan forward 120 degrees without adjusting > the other coordinates. This does cause problems in getting a > mapping between the initial input and the modified structure. > If you have the checkpoint file you should be better off > with Opt=(RESTART,...) which will pick up the last geometry. > If you don't have that pluck it from the output and start with > the correct value for the dihedral. This (appears to have) worked -- at least, the job has not crashed up til now. Thanks again to everyone, Marc ------------------------------------------------------------------------ Marc C. Nicklaus National Institutes of Health E-mail: mn1@helix.nih.gov Bldg 37, Rm 5B29 Phone: (301) 402-3111 BETHESDA, MD 20892-4255 USA Fax: (301) 496-5839 http://www.nci.nih.gov/intra/lmch/MCNBIO.HTM Laboratory of Medicinal Chemistry, National Cancer Institute, & Lab. of Structural Biology, Div. of Computer Research and Technology ------------------------------------------------------------------------ From gerwalin@iris1.chemie.uni-kl.de Mon May 19 15:43:26 1997 Received: from uni-kl.de for gerwalin@iris1.chemie.uni-kl.de by www.ccl.net (8.8.3/950822.1) id PAA17662; Mon, 19 May 1997 15:30:51 -0400 (EDT) Received: from iris1.chemie.uni-kl.de by news.uni-kl.de id aa21269; 19 May 97 21:30 MET DST Received: by iris1.chemie.uni-kl.de (940816.SGI.8.6.9/940406.SGI.AUTO) for chemistry@www.ccl.net id VAA24219; Mon, 19 May 1997 21:30:51 +0200 Date: Mon, 19 May 1997 21:30:51 +0200 From: Elmar Gerwalin Message-Id: <199705191930.VAA24219@iris1.chemie.uni-kl.de> To: chemistry@www.ccl.net Subject: G94 - freq job is too large! I want to calculate the IR spectra of a molecule C13H13 using B3LYP. Within the basis set I want(!) to use, therefore nearly 300 basis functions are needed. The frequency caclulation using RHF/same basis made no problem, but the DFT-job is too heavy for the computer I have to use. Now my question: what's the cheapest way to calculate the IR spectra using G94 ? (what about the Options freq= (Numerical,NoRaman) ?) Thanks for any help BYe Elmar ---- Elmar Gerwalin, gerwalin@chemie.uni-kl.de ----- From netsci@awod.com Fri May 16 10:43:35 1997 Received: from sumter.awod.com for netsci@awod.com by www.ccl.net (8.8.3/950822.1) id KAA03093; Fri, 16 May 1997 10:14:52 -0400 (EDT) Received: from [208.140.96.31] (chs0031.awod.com [208.140.96.31]) by sumter.awod.com (8.7.6/8.6.12) with SMTP id KAA18751; Fri, 16 May 1997 10:14:50 -0400 (EDT) X-Sender: arichon@awod.com (Unverified) Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Fri, 16 May 1997 10:12:35 +0100 To: chemistry@www.ccl.net From: netsci@awod.com (Network Science) Subject: May Issue of NetSci The May issue of NetSci is on-line at: http://www.netsci.org Articles include "Recent Applications of Accelerated Structure Analysis Protocols" by Edward H. Kerns, et al (Bristol-Myers Squibb) and a new course, "HTML for Beginners". From tcg@chem.unipune.ernet.in Mon May 19 09:43:22 1997 Received: from sangam.ncst.ernet.in for tcg@chem.unipune.ernet.in by www.ccl.net (8.8.3/950822.1) id JAA15957; Mon, 19 May 1997 09:15:41 -0400 (EDT) Received: from iucaa (iucaa.ernet.in [144.16.31.4]) by sangam.ncst.ernet.in (8.7.5) with SMTP id SAA06440 for ; Mon, 19 May 1997 18:53:08 +0530 (GMT+05:30) Received: from unipune.ernet.in by iucaa (5.65v3.2/SMI-4.1) id AA02665; Mon, 19 May 1997 18:43:39 +0500 Received: from chem.unipune.ernet.in by unipune.ernet.in (8.8.5/UNIPUNE-MAILHUB(02.04.97)) id SAA22136; Mon, 19 May 1997 18:43:20 -0500 (GMT) Received: by chem.unipune.ernet.in (8.7.5/SMI-SVR4) id SAA00483; Mon, 19 May 1997 18:53:47 -0500 Date: Mon, 19 May 1997 18:53:47 -0500 From: tcg@chem.unipune.ernet.in (Students of Dr. S.R. Gadre) Message-Id: <199705192353.SAA00483@chem.unipune.ernet.in> To: CHEMISTRY@www.ccl.net Subject: van der Waals radius Dear Sirs : Could someone give us van der Waals radius for Lithium, Boron , Chlorine, Fluorine and Oxygen atoms? Thanks. (We do have radii of some elements from this list..we will check consistency with your values)......Shridhar Gadre From merkle@parc.xerox.com Mon May 19 12:39:59 1997 Received: from alpha.xerox.com for merkle@parc.xerox.com by www.ccl.net (8.8.3/950822.1) id LAA16333; Mon, 19 May 1997 11:09:49 -0400 (EDT) Received: from manarken.parc.xerox.com ([13.2.116.21]) by alpha.xerox.com with SMTP id <16657(2)>; Mon, 19 May 1997 08:09:20 PDT Received: by manarken.parc.xerox.com id <12177>; Mon, 19 May 1997 08:09:01 PDT From: Ralph Merkle To: chemistry@www.ccl.net Subject: Feynman's 1959 talk on the web Cc: merkle@parc.xerox.com Message-Id: <97May19.080901pdt."12177"@manarken.parc.xerox.com> Date: Mon, 19 May 1997 08:09:01 PDT "E. Lewars" said: > Someone recently asked about nanotechnology --how seriously should we take it? > For a paper and some refs see Angewande Chemie, Int. Ed. English, > 1997, 36(6), 585-587. The idea of nanotechnology seems to begin, in its > popular modern incarnation anyway, with the Nobel-prizewinning physicist > Richard Feynman (of quantum electrodynamics and Feynman diagrams) in a > lecture around 1960 and his 1961 book (ref 1 in the paper). Feynman's 1959 talk, published in the February 1960 issue of Caltech's Engineering and Science, is available on the web at http://nano.xerox.com/nanotech/feynman.html In his talk, Feynman said: But I am not afraid to consider the final question as to whether, ultimately---in the great future---we can arrange the atoms the way we want; the very atoms, all the way down! What would happen if we could arrange the atoms one by one the way we want them (within reason, of course; you can't put them so that they are chemically unstable, for example). Up to now, we have been content to dig in the ground to find minerals. We heat them and we do things on a large scale with them, and we hope to get a pure substance with just so much impurity, and so on. But we must always accept some atomic arrangement that nature gives us. We haven't got anything, say, with a "checkerboard" arrangement, with the impurity atoms exactly arranged 1,000 angstroms apart, or in some other particular pattern. What could we do with layered structures with just the right layers? What would the properties of materials be if we could really arrange the atoms the way we want them? They would be very interesting to investigate theoretically. I can't see exactly what would happen, but I can hardly doubt that when we have some control of the arrangement of things on a small scale we will get an enormously greater range of possible properties that substances can have, and of different things that we can do.