From ZSYAMP01@EBCESCA1.bitnet Thu Mar 18 17:59:56 1993 Message-Id: <199303182152.AA08261@oscsunb.ccl.net> Date: Thu, 18 Mar 93 10:40:05 CET From: ZSYAMP01%EBCESCA1@OHSTVMA.ACS.OHIO-STATE.EDU Subject: First Congress of the ISTCP (part two) To: chemistry@ccl.net - - - - - - - - - - - - - - - - - - - - - - - - - - RE: Second circular of the First Congress of the International Society for Theoretical Chemical Physics Dear Sir: This second circular of the First Congress of the ISTCP is to inform you on some important points. At the moment the Congress has achieved a great success on participation. We have received about 220 pre-registration which include more than 70 Invited Speakers (there is a list enclosed) whose conferences cover almost all the fields of Theoretical Chemical Physics. The registration fee for the Congress is US$ 350. There is a special price of US$ 250 pts for students, members of the ISTCP and members of EPS who document it. The cost of catering and social programme is US$ 250. It includes all meals (6 lunches and 4 dinners), one social dinner offered by the Organization, one excursion and one concert. Payment should be made through a bank transfer, in US Dollars to: Caixa d'Estalvis i Pensions de Barcelona Abeuradors, 5. Girona. SPAIN Checking account no. 1134-70-0003001-62 International Society for Theoretical Chemical Physics To confirm the inscription to the Congress we should receive a copy of the transfer with the enclosed registration form, which you may send us by registered mail or fax (72- 21 64 06), before May, 15. Confirmation will be sent to you at your address. Late registration fees after May 15 are US$ 400 (ordinary rate) or US$ 300 (special rate). Registrations cancelled after May 15, 1993, are subjected to a US$ 50 cancellation fee. A full refund will be made for cancellations received prior to this date. The Congress proceedings will be published in the International Journal of Quantum Chemistry. Deadline and instructions concerning publication of contributed papers will be sent in due time to registered participants. The deadline for the abstracts of contributed papers and poster presentations is April 15, 1993. If you are interested to participate please fill the attached form and return it at your earliest convenience to : Ramon Carbo Institut de Quimica Computacional Facultat de Ciencies Universitat de Girona Placa Hospital 6 E-17071 Girona Spain FAX: (34) (72) 418099 - - - - - - - - - - - - - - - - - - - - - - - - - - PARTICIPANT REGISTRATION FORM Name Institution Address Telephone Fax Registration (compulsory) US$ 350.- US$ 250.- =............ Hotel Hotel Sol Costabella Fornells Park Ultonia Peninsular Room type double room double room (single occupation) Please, mark one hotel and a room type. See attached list of prices. Who would you like to share the room with? (if you have chosen this possibility) Name and address......................................... ......................................... ......................................... Days: Arrival date.......... Departure date............ Price: Total of days.......... x price........ =............ Catering and social programme US$ 250.- =............ TOTAL AMOUNT DUE =............ HOTELS (Prices per person/day in US$) Double Double (single occupation) Sol **** 53 79 Barcelona, 110 24 32 32 Costabella *** 50 76 Av. Francia, 61 20 25 24 Fornells Park *** 49 71 Crta. Nacional II s/n 47 61 25 Ultonia *** 50 80 G.V. Jaume I, 22 20 38 50 Peninsular * 28 34 Nou, 5 20 38 00 Breakfast and taxes are included. If you are interested in sharing a double room with another participant, you can tell us the name of the other person or, if you do not know anyone, let the Organization distribute the rooms. There will be a daily bus service for people lodged in hotels Fornells Park, Sol and Costabella. Given that the hotel capacity of Girona is limited (small) the organization cannot guarantee that the chosen hotel is available. The allocation of hotels rooms will be done according to rigorous order of arrivals of registration forms. Early booking is strongly advised. The organization reserves the right to change the hotel for the immediately superior if the chosen one is full. - - - - - - - - - - - - - - - - - - - - - - - - - - List of invited lecturers Name Institution City/Country Almlof, J. Univ. of Minnesota Minneapolis. USA Hartree-Fock Methods for Very Large Systems Avoird, A. van University of Nijmegen Nijmegen.NETHERLANDS Intermolecular Potentials and the Spectra of Van der Waals Complexes Baerends, E.J. Univ.of Amsterdam Amsterdam.NETHERLAND Density-functional Calculations Bakhshi, A.K. Panjab University Chandigarh. INDIA Theoretical Designing of Electrically conducting Polymers: Some New Results Barandiaran,Z. U. Autonoma Madrid Madrid. SPAIN Environmental Effects on Local Properties: ab initio Model Potential Appoach Bertran, J. Univ. Autonoma Barcelona Bellaterra. SPAIN Biczo, G. Hungarian Acad.of Sciences Budapest. HUNGARY The role of theoretical chemical physics in constructing certain molecular electronic circuits Bishop, D.M. Univ. of Ottawa Ottawa. CANADA Calculation on non-linear optics. Borstnik, B. B.K. Institute of Chemistry Ljubljana. SLOVENIA Continuum Percolation Looking for Evolutionary Constraints in Genetic Sequences Caballol, R. Univ. Rovira i Virgili Tarragona. SPAIN Structural dependence of the singlet-triplet gap in doubly bridged copper dimers: a variational CI calculation Cizek, J. University of Waterloo Ontario.CANADA On the Use of Symbolic Calculation in Theoretical Chemistry Clementi, E. Univ. Louis Pasteur Strasbourg. FRANCE Global simulations: Concept and examples Collins, T.C. Oklahoma State University Stillwater. USA Calculations of electronic systems which have local and non- local electrons in the valance band- High Tc systems Chalasinski,G. University of Warsaw Warszawa. POLAND Structure and Energy of Rare-gas Molecule Complexes Chen, N. Shanghai Ins. of Metallurgy Shanghai. CHINA Chemical Bond Theory of Metastable Intermetallic Compounds Csizmadia,I.G. Lab. de Chimie Theorique Nancy. FRANCE Peptide conformations and protein folding Delgado-B., Consejo Sup. de I. C. Madrid. SPAIN Predissociation of van der Waals clusters Duran, M. Universitat de Girona Girona.SPAIN Environmental Effects on Structure and Reactivity of Medium Sized Molecules Fraga, S. Univ. of Alberta Edmonton. CANADA Prediction of accurate electronic wave functions and energies Forner, W. Lehrstuhl Theor. Chemie Erlangen.GERMANY Solitondynamics in Trans-Polyacetylene Fukutome, H. Kyoto University Kyoto. JAPAN Resonating Hartree-Fock Theory and its Application to the One Dimensional Hubbard Model Govil, G. Tata Ins. Fundam. Research Bombay. INDIA Simulation of NMR Spectra in Relation of Molecular Conformation of Nucleic Acids Gropen, O. University of Tromso Tromso. NORWAY Relativistic quantum mechanical calculations on small third row transi... metal compounds using different methods Gross, E.K.U. Universitat Wurzburg Wurzburg. GERMANY Time Dependent density functional theory or Density functional theory for superconductors Hinze, J. Univ. of Bielefeld Bielefeld.GERMANY Reactive collisions of an atom with a diatomic molecule Hirao, K. Nagoya University Nagoya. JAPAN Multireference Mller-Plesset Perturbation Method Illas, F. U. de Barcelona Barcelona. SPAIN Electronic structure of ionic systems Imamura, A. Hiroshima University Hiroshima. JAPAN Calculation of the electronic structure of aperiodic polymers by an elongation method Jones, H.W. Florida A.M. University Tallahassee. USA Multicenter molecular integrals over Slater- Typre orbitals Kapuy, E. Jozsef Attila University Szeged. HUNGARY Applications of the many-body perturbation theory in the localizated representation Kolos, W. University of Warsaw Warszawa. POLAND Konarski, J. Faculty of Chemistry Poznan. POLAND Soft body model of a molecule and its application to rovibrational spectroscopy Kreuzer, H.J. Dalhousie University Nova Scotia.CANADA Physics and Chemistry in High Electric Fields Kuprievich, V. Ins. Theoretical Physics Kiev. UKRAINE APSG-SCF calculations of correlated quasi-one-dimensional systems Kutzelnigg, W. Ruhr-Universitat Bochum Bochum. GERMANY Ladik, J. Univ. Erlangen-Nurnberg Erlangen.GERMANY Design of polymers with prescribed properties Lefebvre, R. U. Pierre et Marie Curie Orsay. FRANCE Molecular Resonance Parameters and Rate Constants Levine, R.D. The Hebrew University Jerusalem. ISRAEL Intramolecular Dynamics Levy, B. Universite Paris Sud Orsay. FRANCE Local electronic correlation Liu, R.Z. Beijing Normal Univ. Beijing. CHINA Theoretical study on physical properties of 1 D quasi-crystal Lowdin, P.O. Univ. of Florida Florida. USA Ludena, E.V. Inst. Venezolano de I.C. Caracas.VENEZUELA Local-scaling density functional theory: Theory and applications Malli, G. Simon Fraser University Burnaby. CANADA Relativistic and Electron Correlation Effects in Molecules March, N.H. University of Oxford Oxford. U.K. Electron Correlation in Molecules and Solids Mezei, M. M. Sinai School of Medicine New York. USA Calculation of solvatin free energies from computer simulations McGlynn, S.P. Louisiana State University Louisiana.USA Molecular Lesion Patterns as Radiation Signatures Micha, D.A. University of Florida Gainesville. Usa Time-evolution of electronic densities in slow atomic collisions. Miller, W.H. University of California Berkeley.USA Quantum Theory of Chemical Reactions Moccia, R. Universita di Pisa Pisa. ITALY Differential Photoionization Cross Sections by RPA with L2 Basis Montero. L. Univ. de La Habana Habana. CUBA Theoretical chemistry in personal computers: programs and tests Moscardo, F. Universitat d'Alacant Alacant. SPAIN Teoria del funcional densidad Nicolaides,C.A Nat.Hellenic Research Found. Athens.GREECE Oddershede, J. Odense University Odense. DENMARK Theory of the Electronic Parameters of NMR Spectra of Molecules Otto, P. Univ. Erlangen-Nurnberg Erlangen. GERMANY Hyperpolarizabilities in polymers Paldus, J. University of Waterloo Ontario.CANADA Open-shell Coupled-Cluster Theories Peyerimhoff,S. Universitat Bonn Bonn.GERMANY Pipek, J. Technical Univ. Budapest Budapest. HUNGARY Mathematical Characterization and Shape-Analysis of Localized, Fractal and Complex Distributions in Extended Systems Pushkarov,D.I. Ins, Solid State Physics Sofia. BULGARIA General Nonlinear Theory of Quasiparticles in Deformable Lattices Raimondi, M. Universita di Milano Milano.ITALY Modern VB theory Raynes, W.T. Univ. of Sheffield Sheffield. U.K. The effects of vibration and isotopic substitution on molecular properties Reineker, P. Univ. of Ulm Ulm. GERMANY Molecular dynamics simulation of polymeric melts in the presence of surfaces Sadlej, A.J. University of Lund Lund. SWEDEN Electron Correlation Problem in Calculations of Atomic and Molecular Properties Sagues, F. University of Barcelona Barcelona. SPAIN Fractals in Chemistry Saran, A. Tata Ins. Fundam. Research Bombay. INDIA Conformational Studies on Anti-AIDS Drugs Schaefer, H.F The University of Georgia Athens. USA Seijo, L. U. Autonoma Madrid Madrid. SPAIN Shavitt, I. Ohio State University Ohio. USA Multireference perturbation theory in a CI context Smeyers, Y.G. Inst. Estructura de la Mat. Madrid. SPAIN Internal molecular dynamics. Application to the specteum band structure calculations for non-rigid molecules. Steinborn, O. Universitat Regensburg Regensburg.GERMANY Suhai, S. German Cancer Res. Center Heidelberg.GERMANY Nonlinear optical properties of polymeric materials Surjan, P.R. Eotvos University Budapest Budapest.HUNGARY Electron correlation calculations with strictly localized geminals. Tapia, O. Univ. of Uppsala Uppsala. SWEDEN Recent developments in the theory of solvent effects and applications to chemical reactions in condensed phases and bioenvironments Ukrainskii, I. Ins. Theoretical Physics Kiev. UKRAINE Electron correlations and pairing in low-dimensional systems Urban, M. Comenius University Bratislava.CZECHOSLOVAKIA Electron Correlation Effects in Calculations of Electric Properties of Molecules Valdemoro, C. Inst. Ciencia Materiales Madrid. SPAIN Contracted Schrodinger Equation Varandas, A.J. Universidade de Coimbra Coimbra. PORTUGAL Veillard, A. Universite Louis Pasteur Strasbourg. FRANCE Ventura, O. Inst. de Quimica Montevideo.URUGUAY Vibrational spectra of hydrogen-bonded complexes Voitlander, J. Ins.Physikal.Chemie der LMU Munchen.GERMANY Resonance Theoretical Description of Magnetic Zero-field Splitting Energies of Benzenoid Hydrocarbons: Structural Dependence of the Parameter D Witkowski, A. Jagiellonian University Krakow. POLAND Relative phase of nuclear and electronic notions and the coherent molecular states Weber, J. University of Geneva Geneva. SWITZERLAND Theoretical investigations of selective reductions mechanisms on metal surfaces Whitehead,M.A. McGill University Montreal. CANADA Density functional calculations and theory Wolniewicz, L. N. Copernicus University Torun. POLAND Yamabe, T. Kyoto University Kyoto. JAPAN Electron-Phonon Coupling beyond Born-Oppenheimer Approximation in Molecular System Zerner, M.C. University of Florida Florida USA Zivkovic, P.T. Inst. "Rudger Boskovic" Zagreb.CROATIA Zulicke, L. Phys.-Chem. Dynamik im WIP Berlin. GERMANY Internal mode dynamics of molecular rearrangement Sponsor Fundacio Catalana per a la Recerca Fundacio privada: Girona: Universitat i futur Collaborators - Departament d'ensenyament. Generalitat de Catalunya - Convex - CRAY Research - Ministerio de Educacion y Ciencia