Introduction to molecular dynamics and chemical kinetics
著者
書誌事項
Introduction to molecular dynamics and chemical kinetics
J. Wiley & Sons, c1996
- タイトル別名
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Molecular dynamics and chemical kinetics
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注記
"A Wiley-Interscience publication."
Includes bibliographical references and index
内容説明・目次
内容説明
The first text to cover both molecular reaction dynamics and chemical kinetics and their respective theories in a single source. After introductory material, the monograph goes on to cover interaction potentials; relative motion and the collisional approach for chemical reaction in the gas phase; partition functions; transition state theory; unimolecualr reactions; molecular reactions calculations; non-adiabatic transitions; surface kinetics; chemical reactions in solution; energetic changes in solvating a molecule; transition state theory in solution; models for diffusion; Kramers' theory of viscosity of solvent in chemical reactions; and electronic transfer reactions in solution. Also includes problems and solved exercises.
目次
Interaction Potentials.
Relative Motion.
Collisional Approach.
Partition Functions.
Transition State Theory.
Generalized Transition State Theory.
Theory for Unimolecular Reactions.
Classical Dynamics.
Nonadiabatic Transitions.
Surface Kinetics.
Chemical Reactions in Solution.
Energetic Aspects of Solvent Effects on Solutes.
Models for Chemical Reactions in Solution.
Kramers' Theory.
The Classical Model of Electron Transfer Reactions in Solution.
Appendices.
Index.
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