Kinetics and Dynamics of Elementary Gas Reactions

Preface Part 1: The Theoretical Background 1 Macroscopic and Microscopic Kinetics 1.1 Elementary Reactions 1.2 Macroscopic Kinetics 1.3 Microscopic Kinetics 1.4 Towards a Detailed Rate Theory for Collisional Reactions 1.5 Summary 2 The Electronic Potential Energy in Molecular Systems 2.1 General Introduction 2.2 Diatomic Systems 2.3 Triatomic Systems 2.4 Electronic States of Molecules and the Adiabatic Correlation Rules 3 Molecular Collision Dynamics 3.1 General Introduction 3.2 General Principles of Classical Dynamics 3.3 Classical Collisions between Two Particles 3.4 Simple Models of Reactive Collisions 3.5 Classical Reaction Dynamics 3.6 Non-Classical Calculations on Reaction Dynamics 4 Statistical Theories of Reaction Rates 4.1 Relationships from Statistical Mechanics 4.2 Transition State Theory 4.3 Microcanonical Transition State Theory 4.4 'Special' Quantum Effects in Transition State Theory 4.5 Unimolecular Reactions 4.6 Detailed Reaction Cross-Sections and Rate Constants Part 2: Comparisons between Experiment and Theory 5 Thermal Rate Data 5.1 General Introduction 5.2 Experimental Methods 5.3 Bimolecular Reactions 5.4 The H3 Reactions 5.5 'Non-Arrhenius' Behavior 5.6 Kinetic Isotope Effects 5.7 Unimolecular Reactions 5.8 Atomic Recombination 6 Detailed Rate Constants 6.1 General Introduction 6.2 Experimental Methods: Excitation of Products 6.3 Energy Disposal in Chemical Reactions 6.4 Experimental Methods: Excitation of Reagents 6.5 Selective Excitation: Unimolecular Processes 6.6 Selective Excitation: Bimolecular Reactions 6.7 State-to-State Rate Constants 7 Reactive Scattering 7.1 Introduction 7.2 Experimental Methods 7.3 Interpretation of Scattering Experiments 7.4 Reactions of Metal Atoms and Dimers 7.5 Reactions of Non-metal Species Appendix 1: Units, Conversion Factors and Fundamental Constants A1.1 Basic Units A1.2 Derived Units A1.3 Prefixes for SI Units A1.4 Conversion Factors A1.5 Fundamental Constants Appendix 2: Symbols Appendix 3: Statistical Mechanics A3.1 Translation (One-dimension) A3.2 Translation (Three-dimensions) A3.3 Rotation (Linear Molecules) A3.4 Rotation (Non-linear Molecules) A3.5 Internal Rotation A3.6 Vibration A3.7 Electronic States A3.8 Internal Energy and EntropyReaction Index Subject Index