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Viser: Theories of Molecular Reaction Dynamics - The Microscopic Foundation of Chemical Kinetics
Theories of Molecular Reaction Dynamics
The Microscopic Foundation of Chemical Kinetics
Niels E. Henriksen og Flemming Y. Hansen
(2012)
Sprog: Engelsk
Oxford University Press, Incorporated
536,00 kr.
Print on demand. Leveringstid vil være ca 2-3 uger.
Detaljer om varen
- Paperback: 392 sider
- Udgiver: Oxford University Press, Incorporated (Maj 2012)
- Forfattere: Niels E. Henriksen og Flemming Y. Hansen
- ISBN: 9780199652754
This book deals with a central topic at the interface of chemistry and physics - the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemicalreactions. The style is highly systematic with attention to basic concepts and clarity of presentation.Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a detailedpresentation of transition-state theory which plays an important role in practice, and a comprehensive discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemicalproblems.
1. IntroductionI GAS-PHASE DYNAMICS2. From microscopic to macroscopic descriptions3. Potential energy surfaces4. Bimolecular reactions, dynamics of collisions5. Rate constants, reactive flux6. Bimolecular reactions, transition-state theory7. Unimolecular reactions8. Microscopic interpretation of Arrhenius parametersII CONDENSED-PHASE DYNAMICS9. Introduction to condensed-phase dynamics10. Static solvent effects, transition-state theory11. Dynamic solvent effects, Kramers theoryIII APPENDICESA. Statistical MechanicsB. Microscopic reversibility and detailed balanceC. Cross sections in various framesD. Classical mechanics, coordinate transformationsE. Small vibrations and normal mode coordinatesF. An integralG. Dynamics of random processesH. Multidimensional integrals, Monte Carlo method
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