From JKONG@ac.dal.ca Mon Feb 21 10:02:16 1994 Received: from SYSWRK.UCIS.DAL.CA for JKONG@ac.dal.ca by www.ccl.net (8.6.4/930601.1506) id JAA16797; Mon, 21 Feb 1994 09:31:48 -0500 Received: from AC.Dal.Ca by SYSWRK.UCIS.DAL.CA (PMDF V4.2-14 #2545) id <01H9577AK700000OIK@SYSWRK.UCIS.DAL.CA>; Mon, 21 Feb 1994 10:28:35 -0400 Received: from AC.DAL.CA by AC.DAL.CA (PMDF V4.2-14 #2545) id <01H956YO56W00039XG@AC.DAL.CA>; Mon, 21 Feb 1994 10:28:27 -0400 Date: Mon, 21 Feb 1994 10:28:27 -0400 From: JING KONG Subject: Conformation analysis To: chemistry@ccl.net Message-id: <01H956YO5GJ60039XG@AC.DAL.CA> X-VMS-To: IN%"chemistry@ccl.net" X-VMS-Cc: CONFORMATION ANALYSIS MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Dear netters, Can anyone direct me to some comprehensive review(s) about conformational analysis, including small and large molecules? I would also like to know if small rings with 6 or 7 memebers are more stable than larger rings in the sence that small rings are packed tightly. Thank you for your help. Jing From mckelvey@Kodak.COM Mon Feb 21 10:19:38 1994 Received: from Kodak.COM for mckelvey@Kodak.COM by www.ccl.net (8.6.4/930601.1506) id JAA16728; Mon, 21 Feb 1994 09:22:29 -0500 From: Received: from NTPROF.DECnet MAIL11D_V3 by Kodak.COM (5.61+/2.1-Eastman Kodak) id AA04650; Mon, 21 Feb 94 09:16:29 -0500 Date: Mon, 21 Feb 94 09:16:27 -0500 Reply-To: mckelvey@Kodak.COM Message-Id: <9402211416.AA04650@Kodak.COM> To: osc@Kodak.COM Subject: PREVIOUS PSEUDOPOTENTIAL POSTING HERE IS A MORE COMPLETE REFERENCE FOR THE B-I SUBBLOCK PSEUDOPOTENTIAL POSTING OF LAST WEEK: AB INITIO ENERGY-ADJUSTED PSEUDOPOTENTIALS FOR ELEMENTS OF GROUPS 13-17 MOLECULAR PHYSICS VOL 80 P1431-1441 (1993) AUTHORS: A. BERGMER, M. DOLG, W KUCHLE, H. STOLL AND H. PREUSS (MY COMMENT: THE TITLE IS AS LISTED...GROUPS 13-17...PERHAPS THIS IS JUST A MEANS OF REFERENCE I AM NOT ACCUSTOMED TO...FOR GROUPS IIIA-VIIA...) JOHN MCKELVEY EASTMAN KODAK From mperez@ccucvx.unican.es Mon Feb 21 16:02:20 1994 Received: from relay.rediris.es for mperez@ccucvx.unican.es by www.ccl.net (8.6.4/930601.1506) id PAA21010; Mon, 21 Feb 1994 15:38:37 -0500 Return-receipt-to: Angel Mananes Perez Received: from rediris.es by relay.rediris.es (PMDF V4.2-11 #4193) id <01H95ARKGTLS8X4NLO@relay.rediris.es>; Mon, 21 Feb 1994 12:26:16 GMT+1 X400-Received: by mta iris-dcp in /PRMD=iris/ADMD=mensatex/C=es/; Relayed; Mon, 21 Feb 1994 12:25:20 UTC+0100 X400-Received: by /PRMD=iris/ADMD=mensatex/C=es/; Relayed; Mon, 21 Feb 1994 12:23:17 UTC+0100 Date: Mon, 21 Feb 1994 12:23:17 UTC+0100 From: Angel Mananes Perez Subject: SUMMER SCHOOL IN QUANTUM CHEMISTRY. 4-14 SEP. 94, LAREDO (SPAIN) To: chemistry@ccl.net (confirm) Message-id: <371*/S=mperez/OU=ccucvx/O=unican/PRMD=iris/ADMD=mensatex/C=es/@MHS> Content-identifier: 371 Content-transfer-encoding: 7BIT Conversion: Prohibited X400-Content-type: P2-1984 (2) X400-MTS-identifier: [/PRMD=iris/ADMD=mensatex/C=es/;940221122317] X400-Originator: mperez@ccucvx.unican.es X400-Recipients: chemistry@ccl.net ============================================================================= ============================================================================= THE TENTH LAREDO SUMMER COURSES University of Cantabria -- City Council of Laredo SUMMER SCHOOL IN QUANTUM CHEMISTRY SUMMER SCHOOL IN QUANTUM CHEMISTRY 4th -- 14th September 1994, LAREDO (Spain) ============================================================================= ============================================================================= Topics and Lecturers: -- "Density Functional Theory of Atomic Clusters" J.A. Alonso , University of Valladolid (Spain). 4 h. -- "Structure and Dynamics of van der Waals Clusters" . 6 h. G.Delgado-Barrio, Consejo Superior de Investigaciones Cientificas (Spain). -- "Chemisorption. Molecules on Surfaces" F. Flores , Universidad Autonoma de Madrid (Spain). 4 h. -- "Quantum Chemistry: The Molecular Orbital Approach" N.C. Handy , University of Cambridge (UK). 8 h. -- "Density Functional Theory of Atoms and Molecules" N.H. March , University of Oxford (UK). 5 h. ******************************************************************************** School Directors: J.A. Alonso , University of Valladolid (Spain) P.J. Grout , University of Oxford (UK) N.H. March , University of Oxford (UK) ******************************************************************************** Further information can be obtained from: The Secretary, A. Mananes , University of Cantabria (Spain) Address: Departamento de Fisica Moderna Facultad de Ciencias Avda. Los Castros s/n 39005 SANTANDER (SPAIN) Telephone : 34--42--201454 FAX : 34--42--201402 E-MAIL : MPEREZ@CCUCVX.UNICAN.ES ******************************************************************************** The School This Summer School is aimed mainly to young graduate Quantum Chemists and Physicists engaged in research work at the predoctoral or recent postdoctoral level. The School is the continuation of the Charles Coulson Summer Schools in Quantum Chemistry (held in Oxford until 1992) but with more emphasis this time on Density Functional Theory and the applications to Microclusters and Surfaces. Each course will be supported by a series of problem classes in which problems will be solved with the help provided by the staff. The written notes of the lectures will be given to the participants at the begining of the School. There will be an opportunity for participants to give a short talk about their current research topic. Participants will be accommodated at Hotel El Ancla , ten minutes walk from the Cultural Centre Doctor Velasco where lectures will take place and where several seminar rooms are also available. An excursion to Santillana del Mar and Puente Viesgo (prehistorical caves) is included in the program. The site In the north of Spain, on the shores of the Cantabrian sea, 50 Km from Santander, one finds the small fishing town of LAREDO. An old town with historic and artistic links, Laredo is also an important tourist centre with a modern residential area, a beautiful fishing port, a sailing club, and of course, its Salve beach, noted for its large size and safety. In the bay of Laredo, windsurfing, sailing and other sports are practiced. During the last ten years, Laredo has also been the site of the Summer Courses of the University of Cantabria. Fees The total cost, including residence, board and fees is: Spanish Ptas. 90.000 (Double room), 150.000 (Single room). However, there are a number of bursaries, of up to Ptas. 20.000, provided by the Spanish DGICYT and the STRIDE Program (CE). Applications Applications should reach the secretary address by 31st MAY, 1994. At the same address we should be glad to provide further information. Related Meetings The Tenth European Conference on Dynamics of Molecular Collisions will be held at Salamanca (Spain), August, 28--September,2. ******************************************************************************** From S_ARNOLD@delphi.com Mon Feb 21 19:02:21 1994 Received: from bos2a.delphi.com for S_ARNOLD@delphi.com by www.ccl.net (8.6.4/930601.1506) id SAA23141; Mon, 21 Feb 1994 18:36:49 -0500 From: Received: from delphi.com by delphi.com (PMDF V4.2-11 #6311) id <01H95O4PTND294F2F6@delphi.com>; Mon, 21 Feb 1994 18:33:49 EST Date: Mon, 21 Feb 1994 18:33:49 -0500 (EST) Subject: Software for phase diagrams To: chemistry@ccl.net Message-id: <01H95O4PTND494F2F6@delphi.com> X-VMS-To: INTERNET"chemistry@ccl.net" MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Hello. Does anyone know of any software programs for phase diagrams? Thank you. S_arnold@delphi.com