Reaction Rate Theory and Rare Events
eBook - ePub

Reaction Rate Theory and Rare Events

  1. 634 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Reaction Rate Theory and Rare Events

About this book

Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events.In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies.- Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere- Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events- Uses graphics and explicit examples to explain concepts- Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises

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Yes, you can access Reaction Rate Theory and Rare Events by Baron Peters in PDF and/or ePUB format, as well as other popular books in Technology & Engineering & Physical & Theoretical Chemistry. We have over one million books available in our catalogue for you to explore.

Table of contents

  1. Cover image
  2. Title page
  3. Table of Contents
  4. Copyright
  5. Dedication
  6. Preface
  7. Chapter 1: Introduction
  8. Chapter 2: Chemical equilibrium
  9. Chapter 3: Rate laws
  10. Chapter 4: Catalysis
  11. Chapter 5: Diffusion control
  12. Chapter 6: Collision theory
  13. Chapter 7: Potential energy surfaces and dynamics
  14. Chapter 8: Saddles on the energy landscape
  15. Chapter 9: Unimolecular reactions
  16. Chapter 10: Transition state theory
  17. Chapter 11: Landau free energies and restricted averages
  18. Chapter 12: Tunneling
  19. Chapter 13: Reactive flux
  20. Chapter 14: Discrete stochastic variables
  21. Chapter 15: Continuous stochastic variables
  22. Chapter 16: Kramers theory
  23. Chapter 17: Grote-Hynes theory
  24. Chapter 18: Diffusion over barriers
  25. Chapter 19: Transition path sampling
  26. Chapter 20: Reaction coordinates and mechanisms
  27. Chapter 21: Nonadiabatic reactions
  28. Chapter 22: Free energy relationships
  29. Index
  30. Glossary of acronyms and constants