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.
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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.
From the Back Cover
The most complete introduction available to molecular dynamics and the calculation of rate of reaction
This unique textbook provides a unified treatment of molecular reaction dynamics and chemical kinetics in the gas phase, on surfaces, and in solution. It goes beyond the standard textbook topics related to reactions to include concepts from molecular dynamics calculations as well as methods for treating reactions in solution.
Featuring a thorough mathematical presentation that fosters understanding and mastery of all topics covered, Introduction to Molecular Dynamics and Chemical Kinetics:
* Covers all the basic concepts and practices related to mathematical model systems used to calculate probability for chemical reactions
* Provides complete theoretical discussions, including areas of Kramers' theory and Marcus theory dealing with reactions in solutions
* Introduces an innovative system of molecular units for molecular dynamics calculations--provides conventional units as well
* Describes all mathematical derivations necessary for obtaining formulas
* Uses numerous exercises to clarify both the derivations in the text and the effects being studied
* Explains how to solve the exercises in its appended "Answers" section
* Includes special appendices that summarize background information needed to perform required mathematical calculations and understand relevant theories
This unique textbook provides a unified treatment of molecular reaction dynamics and chemical kinetics in the gas phase, on surfaces, and in solution. It goes beyond the standard textbook topics related to reactions to include concepts from molecular dynamics calculations as well as methods for treating reactions in solution.
Featuring a thorough mathematical presentation that fosters understanding and mastery of all topics covered, Introduction to Molecular Dynamics and Chemical Kinetics:
* Covers all the basic concepts and practices related to mathematical model systems used to calculate probability for chemical reactions
* Provides complete theoretical discussions, including areas of Kramers' theory and Marcus theory dealing with reactions in solutions
* Introduces an innovative system of molecular units for molecular dynamics calculations--provides conventional units as well
* Describes all mathematical derivations necessary for obtaining formulas
* Uses numerous exercises to clarify both the derivations in the text and the effects being studied
* Explains how to solve the exercises in its appended "Answers" section
* Includes special appendices that summarize background information needed to perform required mathematical calculations and understand relevant theories
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Inside This Book
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First Sentence:
The ultimate goal of a molecular dynamical approach to chemical reaction dynamics is to be able to understand and calculate the rate of chemical reactions from first principles, i.e., given a specific interaction potential for the nuclear motion one should in principle be able to obtain the probabilities, cross sections, and rate constants for fundamental elementary reaction processes by solving the equations of motion for the system. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
collisional approach, inertial polarization, molecular charge distribution, transition state configuration, reorganization energy, transition state theory, unimolecular reactions, polarization energy, reaction probability, rotational angular momentum, reacting system, degeneracy factor, electronic degrees, surface kinetics, potential energy surface Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Faraday Soc, John Wiley New!
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Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
The ultimate goal of a molecular dynamical approach to chemical reaction dynamics is to be able to understand and calculate the rate of chemical reactions from first principles, i.e., given a specific interaction potential for the nuclear motion one should in principle be able to obtain the probabilities, cross sections, and rate constants for fundamental elementary reaction processes by solving the equations of motion for the system. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
collisional approach, inertial polarization, molecular charge distribution, transition state configuration, reorganization energy, transition state theory, unimolecular reactions, polarization energy, reaction probability, rotational angular momentum, reacting system, degeneracy factor, electronic degrees, surface kinetics, potential energy surface Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Faraday Soc, John Wiley New!
Books on Related Topics | Concordance | Text Stats Browse Sample Pages:
Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
Citations (learn more)
This book cites 18
books:
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8
books
cite this book:
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- Fundamentals of Statistical and Thermal Physics (McGraw-Hill Series in Fundamentals of Physics) by Frederick Reif on page 30, and page 96
- The Molecular Theory of Gases and Liquids by Joseph O. Hirschfelder on page 23, and page 96
- Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules. by K. Huber on page 11
- Quantum Chemistry by Henry Eyring on page 43
- Molecular Collision Theory (Dover Books on Chemistry) by M. S. Child on page 23
See all 18 books this book cites
- Advanced Molecular Dynamics and Chemical Kinetics by Gert Due Billing in Back Matter
- Principles of Molecular Mechanics by Katsunosuke Machida in Back Matter
- Advanced Topics in Theoretical Chemical Physics (Progress in Theoretical Chemistry and Physics) by J. Maruani on page 266
- Introduction to Computational Chemistry by Frank Jensen on page 398
- Quantum Chemistry: Fundamentals to Applications by Tamás Veszprémi in Back Matter
See all 8 books citing this book
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