Plenary Lectures

• Professor T. Blundell
  Protein Structure-Based Drug Design
• Professor Dieter Cremer
  New Developments in the Calculation of Molecular Properties and Chemical Reactions
• Professor Wilfred F. van Gunsteren
  Molecular Dynamics Simulation of Proteins
• Professor K. W. Houk
  Exploration of Pericyclic Reaction Transition Structures with Quantum Mechanical Methods
• Professor Peter A. Kollman
  Molecular Dynamics and Free Energy Calculations of Complex Molecular Systems
• Professor Dr. Werner Kutzelnigg
  Ab Initio Calculations of NMR Shielding Tensors with Applications in Structural Chemistry
• Professor Keiji Morokuma
  The IMOMM (Intergrated MO+MM),IMOMO and ONIOM (our own N-layered Intergrated MO+MM) Methods and their Applications to Large Molecular Systems.
• Professor J. A. Pople
  A Survey of Theoretical Models
• Professor H. Schwarz
  Holy Grails in Gas-Phase Ion Chemistry
• Professor S. Shaik
  To Be or Not To Be Delocalized is the Question. A Different Story of Benzene
• Professor Walter Thiel
  Computational Methods for Large Molecules
• Professor Harel Weinstein
  Peptides, Nucleic Acids, Hormones and Loops in Receptors: Theoretical Organic Chemistry of Structure and Function in the Biological Mechanisms of Proteins and DNA
• Professor Frank Weinhold
  Nature of Hydrogen Bonding in Clusters, Liquids and Enzymes. --an ab-initio, Natural Bond Orbital Perspective --

Invited Lectures

• Professor David Avnir
  The Continous Symmetry and Continous Chirality Approach to Structural Chemistry
• Professor Thomas Bally
  Isomerizations of C8H8+. : Experiments and Calculations in Synergy
• Professor R. Bartlett
  The First Principle Prediction of Coupling Constants for Carbocations and Other Molecules.
• Professor Michael V. Basilevsky
  Collective Medium Coordinates as a New Concept of Theoretical Chemistry.
• Professor J. Bertran
  The Role of the Solvent and the Catalyst on Friedel-Crafts Reaction. An Empirical Valence Bond (EVB) Approach
• Professor Dr. J. Brickmann
  Molecular Modelling in the World of Wide Web
• Professor Weston Thatcher Borden
  Violation of Hund's Rule -- Telling Experimentalists Where to Look and What to Look For
• Dr. Tim Clark
  One-electron Oxidation of DNA Base Pairs: Ab-initio, Density Functional and Semiempirical MO Calculations
• Professor Ron Elber
  Long Time Dynamics of Biomolecules.
• Professor Gernot Frenking
  Metal-Ligand Bonding in Transition Metal Complexes with High and Low Oxidation States.
• Professor Jurgen Gauss
  Theoretical Prediction of NMR Spectra Using Coupled-Cluster Methods.
• Professor Joseph Gerratt
  Modern Valence Bond Theory: Insights into Molecular Electronic Structure and Chemical Processes.
• Professor Peter M.W. Gill
  Chemistry Without Coulomb Tails.
• Professor Roger Grev
  The Vibrational Frequencies of Halosilylenes HSiX (X=F, Cl, Br)
• Professor Philippe Charles Hiberty
  Reconciling Simplicity and Accuracy: Compact Valence Bond Wave Functions with Breathing Orbitals
• Professor Shmaryau Hoz
  Charge Delocalization in Diacetylene Anion.
• Professor Akiko Itai
  New Methods For Rational Lead Generation
• Dr. Miri Karni
  Substituent Effects on the Stability of Triply Bonded Silicon Compounds
• Professor Uzi Kaldor
  Systems with Heavy and Super-Heavy Atoms Computed by the Relativistic Coupled-Cluster Method.
• Professor Wolfram Koch
  Reaction Mechanisms of Transition Metal Cation Mediated CC- and CH-Bond Activations in Hydrocarbons.
• Professor Dani Kost
  Aromatic Charge Transfer Complexes; A Semiempirical Molecular Orbital Study
• Dr. Patrick Lam
  Recent Advances in the Design and Molecular Recognition of Cyclic HIV Protease Inhibitors
• Dr. Richard Lavery
  Modeling DNA Under Stress.
• Dr. Gilda H. LOEW
  Structure of Transient Peroxide Intermediate of Peroxidases by AB Initio Methods
• Professor Jean Paul Malrieu
  To be announced
• Professor Kenneth Merz Jr.
  Application and Development of Quantum Mechanical/Molecular Mechanical Methods and Beyond
• Professor Josef Michl
  Spin-Orbit Coupling in Biradicals
• Professor Vladimir Minkin
  Computational Modelling of Mechanisms of the Circumambulatory Rearrangements of Main-Group Migrants.
• Dr. Klaus Muller
  On the Paradigm Shift from Rational to Random Design
• Professor Shigeru Nagase
  Recent progress in Endohedral Metallofullerenes.
• Professor Eiji Osawa
  Cluster Conformational Analysis of Large and Flexible Molecules: Seco Acids used by Woodward in His Total Synthesis of Erythromycin.
• Dr. Andreas Perczel
  Ab-initio Calculations in Peptide Structure Determination
• Professor Addy Pross
  Mechanism of Alkyl radical Addition to Alkenes. A Theoretical Study
• Professor Pekka Pyykko
  Closed-Shell Attractions Between Heavy Metals.
• Professor Leo Radom
  Planar Tetracoordinate Carbon
• Professor Graham Richards
  Two-dimensional Molecular Representations and Their role in Protein Structure Prediction.
• Professor Henry S. Rzepa
  The Internet as a Computational Chemistry tool.
• Professor Andrej Sali
  Protein Structure Modeling by Satisfaction of Spatial Restraints.
• Professor Joachim Sauer
  Integrated Ab Initio.Molecular Mechanics Approach for Predicting the Structure and Reactivity of Zeolite Catalysts.
• Professor Henry F. Schaefer III
  Is Density Functional Theory Appropriate for Inorganic Molecular Anions
• Professor H.Bernard Schlegel
  Developments in Geometry Optimizations
• Professor Paul von Rage Schleyer
  What is Aromaticity.
• Dr. Peter Schwerdtfeger
  Second-Order Jahn-Teller Distortions in EX3 Compounds.
• Professor Gustavo Scuseria
  Achieving Linear Scaling in Density Functional Theory Calculations of Large Molecules.
• Professor Jeffrey Skolnick
  Design Principles of Globular Proteins
• Professor Reiner Sustmann
  The Influence of Reactant Polarity on the Course of (4+2)-Cycloadditions.
• Professor Arieh Warshel
  Recent Advances in Reliable Modeling of Chemical Reactions in Solutions and Proteins.