Reactive Scattering of Polyatomic Molecules

Classical Dynamics of Nonequilibrium Processes in Fluids Integrating the Classical Equations of Motion Control of Microworld Chemical and Physical Processes Mixed Quantum-Classical Methods Multiphoton Excitation Non-adiabatic Derivative Couplings Photochemistry Rates of Chemical Reactions Reactive Scattering of Polyatomic Molecules Spectroscopy Computational Methods State to State Reactive Scattering Statistical Adiabatic Channel Models Time-dependent Multiconfigurational Hartree Method Trajectory Simulations of Molecular Collisions Classical Treatment Transition State Theory Unimolecular Reaction Dynamics Valence Bond Curve Crossing Models Vibrational Energy Level Calculations Vibronic Dynamics in Polyatomic Molecules Wave Packets. 

Path Integral Methods Reaction Path Hamiltonian and its Use for Investigating Reaction Mechanisms Reactive Scattering of Polyatomic Molecules State to State Reactive Scattering Statistical Adiabatic Channel Models Time Correlation Functions Transition State Theory Unimolecular Reaction Dynamics. 

The hyperspherical coordinate method described in Section 4 is characterized more by its generality and reliability than by its simplicity or computational efficiency. It is equally applicable to both triatomic and tetratomic reactions, and it has also been used in conjunction with reduced dimensionality approximations to study even larger polyatomic reactions (see Reactive Scattering of Polyatomic Molecules). However,... 

Photodissociation Dynamics Rates of Chemical Reactions Reactive Scattering of Polyatomic Molecules Wave Packets. 

Theory and calculations on the chemical reactions of polyatomic molecules are very active areas of research, " There are several reasons for this. The most modem experimental techniques using lasers and molecular beams are being applied to study the microscopic details of such chemical reactions including how different vibrational modes of polyatomic molecules influence reactivity," and measurements of the lifetimes of reaction complexes. State-selected experiments of this type require detailed quantum reactive scattering theory in their interpretation. Furthermore, there is a need for the accurate calculation of kinetic data such as rate constants of polyatomic reactions that are sometimes difficult to study in the laboratory but are important in areas such as atmospheric, combustion, and interstellar chemistry. 

The theoretical and computational study of reactive collisions involving polyatomic molecules is a very active field that has seen significant recent developments. Indeed, the first quantum scattering calculations on a polyatomic molecule... 

Both T-R and T-V energy transfer occurring in collisions between ions and polyatomic molecules have also been studied, and this work has been discussed by Toennies.304 The increasing knowledge of T-R energy-transfer processes should also enhance the capability to study rotational excitation in reactive ion-neutral scattering, an area that has hardly been investigated as yet. 

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