From chemistry-request@server.ccl.net Tue Dec 26 23:03:25 2000 Received: from smtp1.dti.ne.jp (smtp1.dti.ne.jp [202.216.228.36]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id XAA22415 for ; Tue, 26 Dec 2000 23:03:23 -0500 Received: from b159504364 (PPP15.fukuoka-ap2.dti.ne.jp [210.159.131.15]) by smtp1.dti.ne.jp (8.9.3/3.7W) with SMTP id NAA02215 for ; Wed, 27 Dec 2000 13:03:16 +0900 (JST) Message-ID: <001d01c06fb8$d1e3b280$0f839fd2@b159504364> From: "T.Tsuru" To: References: Subject: Resent Progress of Extended Huckel MO Date: Wed, 27 Dec 2000 12:55:14 +0900 MIME-Version: 1.0 Content-Type: text/plain; charset="utf-8" Content-Transfer-Encoding: 8bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.50.4133.2400 X-MimeOLE: Produced By Microsoft MimeOLE V5.50.4133.2400 Hi all, I would like to know about Extended Huckel MO(EHMO) on below two points. 1) I would like to install the Free good EHMO program into my Win98 PC. Does somebody know such program ? And if you are using the program, please add the comment of it. 2) Is there resent review of EHMO? Also, I will accept the such Web Sites and books when you recommend. All responses I will be appreciated, and I will summarize them. Best regards, Telkuni ┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛ 　 Telkuni Tsuru telkuni@venus.dti.ne.jp Representative of Research Information Service of Molecular/with Knowledge Management　 Bunshi Gijyutu ┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛┛ From chemistry-request@server.ccl.net Wed Dec 27 13:21:24 2000 Received: from relay.pnl.gov (relay.pnl.gov [130.20.128.34]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id NAA26389 for ; Wed, 27 Dec 2000 13:21:23 -0500 Received: from CONVERSION-DAEMON by pnl.gov (PMDF V5.2-33 #42505) id <01JY71PBCUMA8Y5LBN@pnl.gov> for chemistry@ccl.net; Wed, 27 Dec 2000 10:19:06 PST Received: from vscan2.pnl.gov ([130.20.64.141]) by pnl.gov (PMDF V5.2-33 #42505) with SMTP id <01JY71P9DTPO8WWJMQ@pnl.gov> for chemistry@ccl.net; Wed, 27 Dec 2000 10:19:03 -0800 (PST) Received: from 130.20.128.21 by vscan2.pnl.gov (InterScan E-Mail VirusWall NT) ; Wed, 27 Dec 2000 10:19:02 -0800 (Pacific Standard Time) Received: by PNLMSE1.pnl.gov with Internet Mail Service (5.5.2448.0) id ; Wed, 27 Dec 2000 10:16:24 -0800 Date: Wed, 27 Dec 2000 10:16:23 -0800 From: "Windus, Theresa L" Subject: summary2: David Young's web site To: "'chemistry@ccl.net'" Message-id: <6DBB005AF9DDD31193030008C7A49DC831F667@pnlmse8.pnl.gov> MIME-version: 1.0 X-Mailer: Internet Mail Service (5.5.2448.0) Content-type: text/plain; charset="iso-8859-1" Here is another URL. Note that it has more up to date information than the CCL URL. Theresa Hello Theresa As you said, David Young's web site had lots of useful information. and I copied those files in my directory for my personal reference. You can check them in http://www.weizmann.ac.il/home/coparthi/science/young/chemistry/contents.html Hope this helps Happy holidays parthi =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= dr. Srinivasan Parthiban Department of Organic Chemistry Phone: +972 (8) 934-4464 Weizmann Institute of Science Fax: +972 (8) 934-4142 76100 Rechovot E-mail: s.parthiban@weizmann.ac.il ISRAEL Home page: http://theochem.weizmann.ac.il/~coparthi =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= From chemistry-request@server.ccl.net Wed Dec 27 12:55:34 2000 Received: from galaxy.pnl.gov (galaxy.pnl.gov [130.20.64.136]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA26293 for ; Wed, 27 Dec 2000 12:55:34 -0500 Received: from CONVERSION-DAEMON by pnl.gov (PMDF V5.2-33 #42505) id <01JY70T7PB4I8ZEBOR@pnl.gov> for chemistry@ccl.net; Wed, 27 Dec 2000 09:53:13 PST Received: from vscan2.pnl.gov ([130.20.64.141]) by pnl.gov (PMDF V5.2-33 #42505) with SMTP id <01JY70SYAP7C8WWND9@pnl.gov> for chemistry@ccl.net; Wed, 27 Dec 2000 09:53:00 -0800 (PST) Received: from 130.20.128.21 by vscan2.pnl.gov (InterScan E-Mail VirusWall NT) ; Wed, 27 Dec 2000 09:52:59 -0800 (Pacific Standard Time) Received: by PNLMSE1.pnl.gov with Internet Mail Service (5.5.2448.0) id ; Wed, 27 Dec 2000 09:50:21 -0800 Date: Wed, 27 Dec 2000 09:49:54 -0800 From: "Windus, Theresa L" Subject: summary: David Young's web site To: "'chemistry@ccl.net'" Message-id: <6DBB005AF9DDD31193030008C7A49DC831F664@pnlmse8.pnl.gov> MIME-version: 1.0 X-Mailer: Internet Mail Service (5.5.2448.0) Content-type: text/plain; charset="iso-8859-1" Thanks to all that answered my question. I include the replies below. Happy New Year! Theresa --------------------------------------------------- theresa..... is this the site you mean? dave left the alabama supercomputer center and auburn university last summer.....and he IS missed..... http://www.ccl.net/cca/documents/dyoung/topics/contents.shtml tom Thomas Elder, Professor phone 334-844-1092 fax 334-844-4221 e-mail elder@forestry.auburn.edu -------------------------------------------------------- Hi Theresa, Dave Young did have a very guide on line while he was at Auburn: > I have been trying to find David Young's web site which must have moved (maybe >David moved?) and which had a lot of useful information about running >calculations. The old URL was >http://www.auburn.edu/~youngd2/topics >Anyone know where the pages have moved to? But he is now at Cytoclonal Pharmaceutics in Dallas, and as far as I know his guide is no longer on line. The good news is that he has expanded his essays into an excellent book. Keep an eye out for "Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems" by David Young, to be published by John Wiley & Sons,Inc., ISBN 0471-333689. EC -- Ernest Chamot Chamot Laboratories, Inc. 530 E. Hillside Rd. Naperville, Illinois 60540 (630)637-1559 echamot@chamotlabs.com http://www.chamotlabs.com/cl From chemistry-request@server.ccl.net Wed Dec 27 16:25:50 2000 Received: from claw.albatros.gliwice.pl (root@claw.albatros.gliwice.pl [195.82.177.94]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id QAA27193 for ; Wed, 27 Dec 2000 16:25:39 -0500 Received: from nikodem (nikodem.albatros.gliwice.pl [195.82.176.77]) by claw.albatros.gliwice.pl (8.9.3/8.9.3) with SMTP id WAA05088 for ; Wed, 27 Dec 2000 22:29:44 +0100 From: Nikodem Kuznik Reply-To: nikodem@zeus.polsl.gliwice.pl Organization: Silesian University of Technology in Gliwice, Poland Date: Wed, 27 Dec 2000 22:22:47 +0100 X-Mailer: KMail [version 1.1.99] Content-Type: text/plain; charset="iso-8859-2" To: CHEMISTRY@ccl.net Subject: CCL: Announcemnet: Linux for chemistry website (Linux4Chemistry) MIME-Version: 1.0 Message-Id: <00122722224701.01773@nikodem> Content-Transfer-Encoding: 8bit Dear CCLers, I'd like to announce my new website concerning linux software for chemistry. Linux4Chemistry: http://zeus.polsl.gliwice.pl/~nikodem/linux4chemistry.html The goal of this website is to provide with the most up-to-date links to the chemical software running on linux. Because the field is still under an intensive development, the website will also be continuously under construction and you may even find some not-up-to-date URLs there for this same reason. In that case contact me, please. I hope it will be helpful to you. You are very welcome to send me your commends, new URLs and so on. I must also say, that I began a cooperation with Dr. Carlo Nervi, who is the developer of Linux and Chemistry website: http://chpc06.ch.unito.it/chem_linux.html and some of the links on my website are based on his very well organized database. I will try participate in the development of his database soon, I hope. You are very welcome to visit my Linux4Chemistry website! Happy New Year! Best regards, Nikodem Kuznik -- Nikodem Kuznik email: nikodem@zeus.polsl.gliwice.pl WWW: http://zeus.polsl.gliwice.pl/~nikodem/me.html Linux Registered User # 59386