Theories of molecular reaction dynamics : the microscopic foundation of chemical kinetics

摘要: 1. Introduction I GAS-PHASE DYNAMICS 2. From microscopic to macroscopic descriptions 3. Potential energy surfaces 4. Bimolecular reactions, dynamics of collisions 5. Rate constants, reactive flux 6. transition-state theory 7. Unimolecular reactions 8. Microscopic interpretation Arrhenius parameters II CONDENSED-PHASE 9. condensed-phase 10. Static solvent effects, 11. Dynamic Kramers III APPENDICES A. Statistical Mechanics B. reversibility and detailed balance C. Cross sections in various frames D. Classical mechanics, coordinate transformations E. Small vibrations normal mode coordinates F. An integral G. Dynamics random processes H. Multidimensional integrals, Monte Carlo method