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Introduction to Molecular Dynamics and Chemical Kinetics by Gert Due Billing and Kurt V. Mikkelsen (1996, Hardcover)
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About this product
Product Identifiers
PublisherWiley & Sons, Incorporated, John
ISBN-100471127396
ISBN-139780471127390
eBay Product ID (ePID)276818
Product Key Features
Number of Pages200 Pages
Publication NameIntroduction to Molecular Dynamics and Chemical Kinetics
LanguageEnglish
Publication Year1996
SubjectChemistry / Physical & Theoretical, Physics / Atomic & Molecular, Chemistry / General
TypeTextbook
Subject AreaScience
AuthorGert Due Billing, Kurt V. Mikkelsen
FormatHardcover
Dimensions
Item Height1 in
Item Weight20.8 Oz
Item Length9.1 in
Item Width6.2 in
Additional Product Features
Edition Number1
Intended AudienceScholarly & Professional
LCCN95-023950
Dewey Edition20
IllustratedYes
Dewey Decimal541.3
Table Of ContentInteraction 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.
SynopsisThe 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 work explores both molecular reaction dynamics and chemical kinetics, and their respective theories. The topics discussed include interaction potentials; relative motion and the collisional approach for chemical reaction in the gas phase; partition functions; transition state theory; unimolecular 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; Kramer's theory of viscosity of solvent in chemical reactions; and electronic transfer reactions in solution. The authors also provide numerous problems and solutions., This book covers both molecular reaction dynamics and chemical kinetics (useful in calculating the probability of chemical reactions occurring) with a complete discussion of theory and thorough mathematical presentations., 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.
LC Classification NumberQD461.B573 1996
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