From chemistry-request@server.ccl.net Sun Dec 13 07:12:15 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id HAA09054 for ; Sun, 13 Dec 1998 07:12:14 -0500 Received: from serenity.mcc.ac.uk (serenity.mcc.ac.uk [130.88.200.93]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id HAA18101 Sun, 13 Dec 1998 07:05:49 -0500 (EST) Received: from nessie.mcc.ac.uk ([130.88.200.20] ident=ymumjc) by serenity.mcc.ac.uk with esmtp (Exim 1.92 #2) for CHEMISTRY@www.ccl.net id 0zpAHX-0005OV-00; Sun, 13 Dec 1998 12:05:51 +0000 Received: (from ymumjc@localhost) by nessie.mcc.ac.uk (8.8.8/8.8.8) id MAA02410 for CHEMISTRY@www.ccl.net; Sun, 13 Dec 1998 12:05:50 GMT (envelope-from ymumjc) From: Jonathan Connor Message-Id: <199812131205.MAA02410@nessie.mcc.ac.uk> Subject: Chair of Physical Chemistry To: CHEMISTRY@www.ccl.net Date: Sun, 13 Dec 1998 12:05:50 +0000 (GMT) X-Mailer: ELM [version 2.4ME+ PL32 (25)] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit The University of Manchester,UK Department of Chemistry Chair of Physical Chemistry Applications are invited for this professorial position, which is tenable in the Chemistry Department from 1st October 1999 or earlier, from candidates with outstanding research records in Physical Chemistry. Applications from candidates with research interests in classical Physical Chemistry will be welcomed, but so will applications from cognate areas of other disciplines; the remit of the Chair will be interpreted flexibly. A Lectureship in Physical Chemistry may be available to support this appointment. Informal enquiries may be made to Professor Colin Price, Head of Department of Chemistry (tel: 0161 275 4706; fax 0161 275 4273; email Colin.Price@man.ac.uk) or to Professor Gareth Morris (tel: 0161 275 4665; fax 0161 275 4598; email g.a.morris@man.ac.uk). Application forms (returnable by 21 December 1998) and further particulars are available from the Office of the Director of Personnel, The University of Manchester, Manchester M13 9PL; tel: ++44 (0) 161 275 2028; fax: ++44 (0) 161 275 2221; email: personnel@man.ac.uk; web site http://www.man.ac.uk. Please quote the reference no. 828/98. As an equal opportunities employer, the University of Manchester welcomes applications from suitably qualified people from all sections of the community regardless of race, religion, gender or disability. ________________________________________________________________________________ Prof. G.A. Morris g.a.morris@man.ac.uk Dept. of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL, UK (0) 161 275 4665 ________________________________________________________________________________ ----- End of forwarded message from Jonathan Connor ----- From chemistry-request@server.ccl.net Sun Dec 13 11:17:11 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA09094 for ; Sun, 13 Dec 1998 11:17:11 -0500 Received: from mserv.itpa.lt (mserv.itpa.lt [193.219.53.20]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id LAA18480; Sun, 13 Dec 1998 11:10:18 -0500 (EST) Received: from localhost (tamulis@localhost) by mserv.itpa.lt (8.9.1/8.9.1) with SMTP id RAA11940; Sun, 13 Dec 1998 17:08:12 +0100 (CET) Date: Sun, 13 Dec 1998 17:08:12 +0100 (CET) From: Arvydas Tamulis To: gwaltney@qtp.ufl.edu, cramer@maroon.tc.umn.edu, ck@ws2.theochem.uni-hannover.de, husuter@cscs.ch, frj@dou.dk, Matthew.Harbowy@tjlus.sprint.com, acp37@rs1.rrz.uni-koeln.de, CHEMISTRY@www.ccl.net, CHEMISTRY-REQUEST@www.ccl.net, MAILSERV@www.ccl.net Subject: Re: Fluorescence emission spectra calculations In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: MULTIPART/MIXED; BOUNDARY="0-2008472185-913565292=:11749" This message is in MIME format. The first part should be readable text, while the remaining parts are likely unreadable without MIME-aware tools. Send mail to mime@docserver.cac.washington.edu for more info. --0-2008472185-913565292=:11749 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Netters, I made attempts to calculate ground state and lowest excited state total energies and spectra of stilbene molecule: H / phenyl ring-C \\ C-phenyl ring / H I have calculated by using ZINDO programe in the HyperChem 5.02 package. In order to find the lowest total energies I have rotated the fragment: \\ C-phenyl ring / H arround the C=C bond by 45, 90, 135 and 180 degrees. For my great suprise the conformation with rotated 180 degrees (see attached picture in file stilb180.bmp) possesses the lowest total energies for the ground (Lowest-State) and in the Next Lowest-State total energies. The distance between overlaping hydrogen atoms in this conformation is 0.1 Angstroms (all other quantum chemical programs does not calculate nothing if the distance between atoms is so small). For example, the difference between total energies of rotated 45 and 180 degrees conformations is unreasonable large: 309.8 kcal/mol. I think that it is the bug in the ZINDO program, but maybe it is something else what I do not know? Another one question rised when I have compared the total energy of planar stilbene molecule in the ground state calculations: -54287.3267775 kcal/mol and Lowest-State total energy: -54286.9209102 in the ZINDO-CI calculations. The difference is approximately equal to 0.41 kcal/mol. Why it is such a difference between two total energies? Thanking your in advance. With best regards. Yours sincerely, Arvydas Tamulis Doctor of Natural Sciences, senior research fellow Institute of Theoretical Physics and Astronomy, Theoretical Molecular Electronics Research Group, A. Gostauto 12, Vilnius 2600, Lithuania e-mail: TAMULIS@ITPA.lt; WEBsite: http://www.itpa.lt/~tamulis/ fax: +(370-2)-225361 or +(370-2)-224694 Phone: +(370-2)-620861 Home address: Didlaukio 27-40, Vilnius 2057, Lithuania Phone: +(370-2)-778743 --0-2008472185-913565292=:11749 Content-Type: APPLICATION/octet-stream; name="stilb180.bmp" Content-Transfer-Encoding: BASE64 Content-ID: Content-Description: Qk2UhwAAAAAAADYEAAAoAAAA0AEAAK4BAAABAAgAAQAAAF6DAAAAAAAAAAAA AAABAAAAAQAA////AP///wD///8Ad3d3AH19fQCCgoIAh4eHAI2NjQCSkpIA mJiYAJ2dnQCioqIAp6enAK2trQCysrIAuLi4AL29vQDCwsIAyMjIAJiYmACf n58ApqamAK2trQC0tLQAurq6AMHBwQDIyMgAz8/PANbW1gDd3d0A4+PjAOrq 6gDx8fEA+Pj4AP///wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA 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Sun, 13 Dec 1998 11:18:08 -0500 (EST) Received: from www.esperanto.com (www.esperanto.com [207.87.0.52]) by ccl.net (8.8.6/8.8.6/OSC 1.1) with ESMTP id LAA07545 for ; Sun, 13 Dec 1998 11:18:07 -0500 (EST) From: workathome@usa.net Received: from www.esperanto.com (user-38ldhfj.dialup.mindspring.com [209.86.197.243]) by www.esperanto.com (8.8.4/8.7.3) with SMTP id GAA29055; Sat, 5 Dec 1998 06:55:14 -0500 (EST) Received: from Received: from deliverance.com ([208.205.93.87]) Received: from SMTP.XServer (Smail6.1.17.1 #36) id n0qBzY7-854vdM; December 5th, 1998 by Received: from 53124.228547(really [54875/54628]) by relay.information.city.es December 4th, 1998 (8.8.5/8.6.5) with SMTP id GAA07664 for ; Sat, 05 Dec 1998 03:43:56 -0600 (EST) Date: Sat, 05 Dec 98 03:43:56 EST To: needextramoney@usa.net Subject: Home Workers Desperately Needed Message-ID: <52165248415822.NAA12373@www.usa.net> Reply-To: Reply-To: moneyfromhome@usa.net X-UIDL: 854854154215784581594348584574584 Comments: Authenticated sender is December 4th, 1998> Dear Future Associate, You Can Work At Home & Set Your Own Hours. Start earning Big Money in a short time NO Newspaper Advertising Necessary! Your job will be to stuff and mail envelopes. You will receive $.25 for each and every envelope you stuff and mail out. Just follow our simple instructions and you will be making money as easy as 1.. 2.. 3 For example stuff and mail 1,000 envelopes and you will receive $250.00. Stuff and mail 2,000 and you will receive $500.00. Stuff and mail 5,000 and you will receive $1,250 and more. Never before has there been an easier way to make money from home! Our Home Mailing Program is designed for people with little or no experience and provides simple, step by step instructions. There is no prior experience or special skills necessary on your part, Just stuffing envelopes. We need the help of honest and reliable home workers like you. Because we are overloaded with work and have more than our staff can handle. We have now expanded our mailing program and are expecting to reach millions more with our offers throughout the US and Canada. Our system of stuffing and mailing envelopes is very simple and easy to do! You will not be required to buy envelopes, lables or postage stamps. We will gladly furnish all circulars at no cost to you. We assure you that as a participant in our program you will never have to mail any thing, objective or offensive. There are no quotas to meet, and there no contracts to sign. You can work as much, or as little as you want. Payment for each envelope you send out is Guaranteed! Here is what you will receive when you get your first Package. Inside you will find 100 envelopes and 100 sales letters and 100 labels ready to stuff and mail. As soon as you are done with stuffing and mailing these first letters, your payment will arrive shortly, thereafter. All you have to do is to order more free supplies and stuff and mail more envelopes to make more money. Our sales literature which you will be stuffing and mailing will contain information outlining our highly informative manuals that we are advertising nationwide. As a free gift you will receive a special manual valued at $24.95, absolutely free, just for joining our Home Mailers Program. Plus you will get your own special code number, so that we will know how much you are to get paid. And to make re-ordering of more envelopes, that our company supplies very simple for you. We are giving you this free bonus because we want you to be confident in our company and to ensure that we will be doing business with you for a long time. Benefits Of This Job: 1. You do not have to quit your present job, to earn more money at home 2. You can make between $2,500 to $4,500 a month depending on the amount of time you are willing to spend stuffing and mailing envelopes 3. This is a great opportunity for the students, mothers, disabled persons or those who are home bodies. To secure your position and to show us that you are serious about earning extra income at home we require a one-time registration fee of $35.00. This fee covers the cost of your initial start up package, which includes 100 envelopes and 100 sales letters and a manual, your registration fee will be refunded back to you shortly thereafter. Money Back Guarantee! We guarantee that as soon as you stuff and mail your first 250 envelopes You will be paid and your registration fee will be refunded. Many of you wonder why it is necessary to pay a deposit to get a job. It is because we are looking for people that seriously want to work from home. * If 3.000 people told us they wanted to start working from home and we sent out 3.000 packages free to every one. And then half of the people decided not to work, this would be a potential loss of more than $60,000 in supply's and shipping that we have sent out to people that don't want to work. We have instituted this policy to make sure that you really want to work and at least finish your first package. To Get Started Today Please Enclose Your Registration Fee of $35 Check, Cash Or Money Order and fill out the application below and mail to: HMC Company 11054 Ventura Blvd Ste 265 Studio City, Ca 91604 Name_____________________________________________________ Address___________________________________________________ City____________________________________ State______________ Zip Code________________ Telephone Number(s)_________________________________________ E-mail Address______________________________________________ For all orders, please allow seven (7) days for delivery and up to 10 Business days for personal checks to clear the bank. Money Orders and Cash result in faster shipping of your start up package.