|
Pulay Lecture |
Session Chairman:
Svein Saebo
Mississippi State University |
|
Peter Pulay
University of Arkansas |
Density Functional and Configuration-based Methods for
Large Systems: The Fourier Transform Coulomb Method and
Full-accuracy Local MP2 |
|
2nd Session |
Session Chairman:
William Adams
Rutgers University |
|
Mattanjah S.
de Vries
University of California at Santa Barbara |
Gas Phase
Spectroscopy of Biomolecular Building Blocks: Interplay between
Theory and Experiment |
|
Alejandro Toro-Labbé
Pontificia Universidad Católica de Chile |
Toward the
Characterization of Mechanisms of Chemical Reactions: The Role
of the Reaction Force Profiles |
|
3rd Session |
Session Chairman:
Szczepan Roszak
Wroclaw University of Technology |
|
Samuel B. Trickey
University of Florida |
Prediction of Materials Properties via Gaussian Orbital
DFT Methods |
|
Lars G. M. Pettersson
Stockholm University |
Water in the Bulk and at Interfaces |
|
Richard Jaffe
NASA Ames Research Center |
Applications of Quantum Chemistry to the Study of Carbon
Nanotubes |
|
4th Session |
Session Chairman: Andrzej
Wierzbicki
University of South Alabama |
|
Richard Lavery
Institut de Biologie Physico-Chimique |
Nucleic Acid Recognition |
|
Gregory A. Voth
University of Utah |
Proton Solvation and Transport in Aqueous and
Biomolecular Environments |
|
5th Session |
Session Chairman:
James L. Meeks
West Kentucky Commun. & Technical College |
|
Hiroshi Nakatsuji
Kyoto University |
Solving the Schrödinger Equation: Analytical Wave
Functions of Atoms and Molecules |
|
Grzegorz Chalasinski
University of Warsaw |
Pre-Reactive Complexes of Open-Shell Atom + Molecule
Interactions: An ab Initio Study |
|
6th Session |
Session Chairman:
Marek W. Urban
University of Southern Mississippi |
|
Tim Clark
Friedrich-Alexander-Universität Erlangen-Nürnberg |
Towards a Next-Generation Semiempirical MO-Technique |
|
Paul L. A. Popelier
University of Manchester |
Towards a Force Field via Quantum Chemical Topology |
|
Ursula
Röthlisberger
Swiss Federal Institute of Technology of Lausanne |
Some Challenges in
First-Principles Based Simulations of Biological Systems |
