Theory of Chemical Reaction Dynamics, 2004
NATO Science Series II: Mathematics, Physics and Chemistry Series, Vol. 145

Proceedings of the NATO Advanced Research Workshop, held in Balatonföldvár, Hungary, 8-12 June 2003

Asymptotic Interactions Between Open Shell Partners in Low Temperature Complex Formation: The H(X2S1/2) + O2 (X3?g?) and $$ O({}^3P_{j_O } ) + OH(X^2 \Pi _{\tilde \Omega } )$$ Systems.- Differential Cross Sections for Abstraction Reactions of Halogen Atoms with Molecular Hydrogen Including Nonadiabatic Effects.- On the Quantization of the Electronic Non-Adiabatic Coupling Terms: The H+H2 System as a Case Study.- Non-Adiabatic Dynamics in the O+H2 Reaction: A Timeindependent Quantum Mechanical Study.- Nonadiabatic Transitions Between Asymptotically Degenerate States.- Coupling of Electron Momenta in Ion-Atom Collisions.- Time-Dependent Wavepacket Calculations for Reactive Scattering and Photodissociation.- Quantum Dynamics of Insertion Reactions.- Chebyshev Propagation and Applications to Scattering Problems.- Molecular Dynamics: Energy Selected Bases.- Molecular Reaction Stereodynamics: In Search of Paths to Overcome Steric Hindrances to Reactivity.- The Rotating Bond Umbrella Model Applied to Atom-Methane Reactions.- Reaction Dynamics of Polyatomic Systems: FROM A + BCD ? AB + CD to X + YCZ3 ? XY + CZ3.- Strong Acceleration of Chemical Reactions Arising Through the Effects of Rotational Excitation of Reagents on Collision Geometry.- Dynamics Studies of the O(3P) + Ch4, C2H6 and C3H8 Reactions.- Quasiclassical Trajectory Studies of the Dynamics of Bimolecular Reactions of Vibrationally Highly Excited Molecules.- Towards a Grid Based Universal Molecular Simulator.- Vibrational Predissociation: Quasiclassical Tunneling Through Classical Chaotic Sea.- Some Recent Advances in the Modeling of Ion-Molecule Association Reactions.- Vibrational Relaxation of Diatoms in Collisions with Atoms at Very Low Energies.- Collisional Energy Transfer in the Gas Phase byClassical Trajectory Calculations.- Manipulation of Atoms and Molecules with Laser Radiation and External Fields.- Photodissociation of Hydrogen Halides in a Cryogenic Rare Gas Environment: A Complex Approach to Simulations of Cluster Experiments.