Subject: CSTC-12 symposium program

From: "Ajit J. Thakkar" <[email-masked]>
Date: Mon, 26 Jun 95 10:05:32 -0300

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          12th Canadian Symposium on Theoretical Chemistry
         12ieme Symposium Canadien sur la Chimie Theorique

                Fredericton, 6-11 August/Aout 1995

         Co-chairmen: William J. Meath and Ajit J. Thakkar

     The 12th Canadian Symposium on Theoretical Chemistry will be held
August 6-11, 1995 at the Wu Conference Centre, University of New
Brunswick, Fredericton, NB, under the co-chairmanship of William J.
Meath (University of Western Ontario) and Ajit J. Thakkar (University of
New Brunswick).  The program will include invited papers and contributed
posters in all areas of theoretical chemistry.

     Contributed papers are welcome in all areas of theoretical
chemistry.  All contributed papers will be given in poster format.  For
registration forms, contact the Conference Secretary, 12th CSTC,
Department of Chemistry, University of New Brunswick, Fredericton, NB
E3B 6E2, Canada.
Fax:  506-453-4981.  Internet:  [email-masked]

The schedule for the plenary lectures is given below:

                            MONDAY, August 7

 Session 1; Chair: M.C. Zerner, University of Florida
 H.A. Scheraga, Cornell University
 Theoretical Studies of Protein Folding
 A. Rauk, University of Calgary
 Oxidative Damage to Peptides: Breaking the Ground

 Session 2; Chair: R.A. Poirier, Memorial University
 W.L. Jorgensen, Yale University
 Molecular Recognition in Organic and Biochemical Systems
 P.G. Mezey, University of Saskatchewan
 Molecular Shape Analysis from Diatomics to Proteins:  Ab Initio
 Quality Local and Global Electron Density Representations by the Medla
 Method
 J.T. Hynes, University of Colorado
 How Do Acids Ionize in Water?

 Session 3; Chair: S.G. Whittington, University of Toronto
 J.M. Andre, Universitaires Notre-Dame de la Paix
 Theoretical Aspects of the Calculation of Polarizabilities of Organic
 Polymers
 D.W. Sumners, Florida State University
 Topological Entanglement in Polymers

 Session 4; Chair: R.S. Dumont, McMaster University
 W.H. Miller, University of California, Berkeley
 Quantum Theory of Chemical Reaction Rates
 D.M. Wardlaw, Queen's  University
 The Influence of Hindered Rotations in the Recombination Kinetics of
 Radicals

                            TUESDAY, August 8

 Session 5; Chair: S.M. Rothstein, Brock University
 D. Ceperley, University of Illinois at Urbana-Champaign
 Quantum Monte Carlo Methods for Electronic Structure
 R.E. Kapral, University of Toronto
 Reaction Dynamics in Mesoscopic Molecular Clusters

 Session 6; Chair: T.T. Nguyen-Dang, Laval University
 H.A. Rabitz, Princeton University
 Intervention and Interrogation of Molecular Dynamics
 A.D. Bandrauk, Universite de Sherbrooke
 Molecules in Intense Laser Fields:  Dissociation, Ionization, Coulomb
 Explosions and Stabilization
 K.C. Showalter, West Virginia University
 Stabilizing and Tracking Stationary States and Periodic Orbits in
 Chaotic Systems

 Session 7; Chair: J. Paldus, University of Waterloo
 D.J. Moore, Universite de Geneve
 Berry Phases: Theory and Applications
 W. Yang, Duke University
 Linear Scaling Methods for Electronic Structure Calculations:  The
 Divide-and-Conquer Strategy

 Session 8; Chair: W.G. Laidlaw, University of Calgary
 D.R.  Salahub, Universite de Montreal
 Structure, Properties, and Reactivity of Clusters and Surfaces from
 Density Functional Theory
 K.B. Whaley, University of California, Berkeley
 Clusters - interpolations and surprises in the science between
 molecules and bulk phases

                           WEDNESDAY, August 9

 Session 9; Chair: J.S. Wright, Carleton University
 E.R. Davidson, Indiana University
 Unconventional Applications of Conventional Ab Initio Methods
 J. Simons, University of Utah
 Chemically Incorrect Molecular Structures

 Session 10; Chair: R.J. Boyd, Dalhousie University
 R.J. Bartlett, University of Florida
 Excited States Using the Equation-of-Motion Coupled Cluster Method
 S.D. Peyerimhoff, Universitat Bonn
 Multi-Reference CI Calculations of Molecular Spectra:  From small to
 large molecules
 P. Botschwina, Universitat Gottingen
 Interaction Between Theory and Experiments in the Molecular
 Spectroscopy of Reactive Species

                           THURSDAY, August 10

 Session 11; Chair: B.C. Sanctuary, McGill University
 M.A. Ratner, Northwestern University
 Electron Transfer in Molecules and Molecular Wires (tentative)
 H.J. Kreuzer, Dalhousie University
 Oscillating Hydrogen-Water Reactions on a Platinum Field Emitter

 Session 12; Chair: T. Ziegler, University of Calgary
 D.M. Bishop, University of Ottawa
 Linear and Nonlinear Optical Properties: the Magnetic Story
 J. Oddershede, Odense University
 Response Calculations of Dipole Oscillator Strength Sum Rules and
 Related Quantities
 P. Pyykko, University of Helsinki
 Relativistic Effects on Molecular Properties

 Session 13; Chair: T. Carrington, Jr., Universite de Montreal
 C.E. Dykstra, Indiana University-Purdue University,Indianapolis
 Ab Initio and Model Studies of Weakly Bound Trimers and Other Clusters
 B. Jeziorski, University of Warsaw
 Symmetry adapted Perturbation Approach to Intermolecular Potential
 Energy Surfaces

 Session 14; Chair: I.P. Hamilton, Wilfred Laurier University
 D.G. Truhlar, University of Minnesota
 Kinetics and Reaction Dynamics and their Interface with Potential
 Energy Surfaces
 R.J. LeRoy, University of Waterloo
 Determining Potential Energy Surfaces from the Spectra of Van der
 Waals Complexes

                            FRIDAY, August 11

 Session 15; Chair: G.N. Patey, University of British Columbia
 S.A. Rice, University of Chicago
 Properties of Langmuir Monolayers and other Pseudo-Two Dimensional
 Systems
 W. Meyer, Universitat Kaiserslautern
 Theoretical Investigation of the Autoionization Process in Molecular
 Collision Complexes

 Session 16; Chair: V.H. Smith, Jr., Queen's University
 J.N. Murrell, University of Sussex
 Potentials for Elemental Solids, Surfaces and Clusters; A Unified
 Scheme