
Theories of Molecular Reaction Dynamics: The Microscopic Foundation of Chemical Kinetics 2nd Edition
Author(s): Niels E. Henriksen (Author), Flemming Y. Hansen (Author)
- Publisher: Oxford University Press
- Publication Date: 1 Aug. 2024
- Edition: 2nd
- Language: English
- Print length: 464 pages
- ISBN-10: 0198899270
- ISBN-13: 9780198899273
Book Description
Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a comprehensive presentation of transition-state theory which plays an important role in practice, and a detailed 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 chemical problems.
The second edition includes updated descriptions of adiabatic and non-adiabatic electron-nuclear dynamics, an expanded discussion of classical two-body models of chemical reactions, including the Langevin model, additional material on quantum tunnelling and its implementation in Transition-State Theory, and a more thorough description of the Born and Onsager models for solvation.
Editorial Reviews
Review
A topic of fundamental importance in physical chemistry and chemical physics. ―
Jonathan Connor, University of ManchesterThis book is a comprehensive monograph on all the aspects of the molecular reaction dynamics and is useful for all the specialists in physico-chemical and chemical fields. ―
Corina Cernatescu, IASI Polytechnic MagazineAbout the Author
Niels Engholm Henriksen holds a Ph.D. in chemical physics from the Technical University of Denmark and a D.Sc. from the University of Copenhagen. After his postdoctoral work in the United States with E.J. Heller, he became a senior research scholar at the University of Copenhagen. Since 1991, NEH has been affiliated with the Technical University of Denmark. His research interests cover various aspects of theoretical molecular reaction dynamics including femtochemistry.
Flemming Yssing Hansen has a Ph.D. in physical chemistry from the Technical University of Denmark. From 1973-2012 he held a position as associate professor in physical chemistry at the Technical University of Denmark and served during that time a 15 year period as chairman of the Department of Physical Chemistry. Since 2012, he has held an emeritus position at the Department of Chemistry, the Technical University of Denmark. He has spent extensive time in Chile and USA as a visiting professor at various universities and was appointed as adjunct professor in Physics at the University of Missouri-Columbia. His research interests cover a wide range of aspects within thermodynamics, statistical mechanics, quantum mechanics and molecular dynamics simulations.
Wow! eBook


