Theories of Molecular Reaction Dynamics
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Theories of Molecular Reaction Dynamics
The Microscopic Foundation of Chemical Kinetics
Henriksen, Niels E.; Hansen, Flemming Y.
Oxford University Press
11/2018
464
Dura
Inglês
9780198805014
15 a 20 dias
1033
Descrição não disponível.
1: Introduction
PART 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: Bimolecular reactions, transition-state theory
7: Unimolecular reactions
8: Microscopic interpretation of Arrhenius parameters
PART II: Condensed-phase dynamics
9: Introduction to condensed-phase dynamics
10: Static solvent effects, transition-state theory
11: Dynamic solvent effects, Kramers theory and beyond
PART III: Appendices
Appendix A: Adiabatic and non-adiabatic electron-nuclear dynamics
Appendix B: Statistical mechanics
Appendix C: Microscopic reversibility and detailed balance
appendix D: Cross-sections in various frames
appendix E: Internal kinetic energy, Jacobi coordinates
Appendix F: Small-amplitude vibrations, normal-mode coordinates
Appendix G: Quantum mechanics
Appendix H: An Integral
Appendix I: Dynamics of random processes
Appendix J: Multidimensional integrals, Monte Carlo method
PART 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: Bimolecular reactions, transition-state theory
7: Unimolecular reactions
8: Microscopic interpretation of Arrhenius parameters
PART II: Condensed-phase dynamics
9: Introduction to condensed-phase dynamics
10: Static solvent effects, transition-state theory
11: Dynamic solvent effects, Kramers theory and beyond
PART III: Appendices
Appendix A: Adiabatic and non-adiabatic electron-nuclear dynamics
Appendix B: Statistical mechanics
Appendix C: Microscopic reversibility and detailed balance
appendix D: Cross-sections in various frames
appendix E: Internal kinetic energy, Jacobi coordinates
Appendix F: Small-amplitude vibrations, normal-mode coordinates
Appendix G: Quantum mechanics
Appendix H: An Integral
Appendix I: Dynamics of random processes
Appendix J: Multidimensional integrals, Monte Carlo method
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
1: Introduction
PART 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: Bimolecular reactions, transition-state theory
7: Unimolecular reactions
8: Microscopic interpretation of Arrhenius parameters
PART II: Condensed-phase dynamics
9: Introduction to condensed-phase dynamics
10: Static solvent effects, transition-state theory
11: Dynamic solvent effects, Kramers theory and beyond
PART III: Appendices
Appendix A: Adiabatic and non-adiabatic electron-nuclear dynamics
Appendix B: Statistical mechanics
Appendix C: Microscopic reversibility and detailed balance
appendix D: Cross-sections in various frames
appendix E: Internal kinetic energy, Jacobi coordinates
Appendix F: Small-amplitude vibrations, normal-mode coordinates
Appendix G: Quantum mechanics
Appendix H: An Integral
Appendix I: Dynamics of random processes
Appendix J: Multidimensional integrals, Monte Carlo method
PART 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: Bimolecular reactions, transition-state theory
7: Unimolecular reactions
8: Microscopic interpretation of Arrhenius parameters
PART II: Condensed-phase dynamics
9: Introduction to condensed-phase dynamics
10: Static solvent effects, transition-state theory
11: Dynamic solvent effects, Kramers theory and beyond
PART III: Appendices
Appendix A: Adiabatic and non-adiabatic electron-nuclear dynamics
Appendix B: Statistical mechanics
Appendix C: Microscopic reversibility and detailed balance
appendix D: Cross-sections in various frames
appendix E: Internal kinetic energy, Jacobi coordinates
Appendix F: Small-amplitude vibrations, normal-mode coordinates
Appendix G: Quantum mechanics
Appendix H: An Integral
Appendix I: Dynamics of random processes
Appendix J: Multidimensional integrals, Monte Carlo method
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
