Introduction to Molecular Dynamics and Chemical Kinetics

Introduction to Molecular Dynamics and Chemical Kinetics

By: Gert Due Billing (author), Kurt V. Mikkelsen (author)Hardback

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This text is now available as a two-volume set. Volume 1 covers both molecular reaction dynamics and chemical kinetics, and their respective theories in a single source. It also includes problems and solved exercises. Volume 2 concerns molecular reaction dynamics - the use of mathematical model systems based on statistical assumptions to calculate the probability of a chemical reaction and chemical kinetics. It combines all the theories of chemical kinetics and molecular reaction dynamics into a single location.

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Volume 1: Interaction Potentials; The Relative Motion; Collisional Approach; Partition Functions; Transition State Theory; Generalized Transition State Theory; Theory for Unimolecular Reactions; Classical Dynamics; Non-Adiabatic Transitions; Surface Kinetics; Chemical Reactions in Solution; Energetic Aspects of Solvent Effects on Solutes; Models for Chemical Reactions in Solution; Kramer's Theory; Classical Model of Electron Transfer Reactions in Solution; Units; Appendices; Volume 2: Second Quantization; Effective Hamiltonian Approaches; Semiclassical Theories; Wavepacket Propagation; Potential Energy Surfaces; The Reaction Path Method; Variational Transition State Theory; Quantum Theory for Rate Constants; Statistical and Phase Space Methods; Photodissociation; Density Operators; Evolution of a Total System; Non-equilibrium Solvation; Molecular Properties of Solvated Molecules; Magnetic Properties of Solvated Molecules; Quantum Model for Electron Transfer; Electron Transfer Coupling Elements; Electron Transfer Reactions Coupled to a Quantum Mechanical Radiation Field; Proton Transfer Reactions in Solution; Appendices; Answers to Exercises.

Product Details

  • publication date: 05/08/1997
  • ISBN13: 9780471182030
  • Format: Hardback
  • Number Of Pages: 504
  • ID: 9780471182030
  • weight: 1070
  • ISBN10: 0471182036

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