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Bimolecular reactions, transition-state theory

Niels E. Henriksen and Flemming Y. Hansen

in Theories of Molecular Reaction Dynamics: The Microscopic Foundation of Chemical Kinetics

Published in print:
2008
Published Online:
January 2010
ISBN:
9780199203864
eISBN:
9780191708251
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199203864.003.0006
Subject:
Physics, Condensed Matter Physics / Materials

This chapter discusses an approximate approach — transition-state theory — to the calculation of rate constants for bimolecular reactions. A reaction coordinate is identified from a normal-mode ... More


Bimolecular Reactions, Transition-State Theory

Niels Engholm Henriksen and Flemming Yssing Hansen

in Theories of Molecular Reaction Dynamics: The Microscopic Foundation of Chemical Kinetics

Published in print:
2018
Published Online:
November 2018
ISBN:
9780198805014
eISBN:
9780191843129
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198805014.003.0006
Subject:
Physics, Atomic, Laser, and Optical Physics

This chapter discusses an approximate approach—transition-state theory—to the calculation of rate constants for bimolecular reactions. A reaction coordinate is identified from a normal-mode ... More


Introduction to statistical thermodynamics of gases

Boris S. Bokstein, Mikhail I. Mendelev, and David J. Srolovitz

in Thermodynamics and Kinetics in Materials Science: A Short Course

Published in print:
2005
Published Online:
November 2020
ISBN:
9780198528036
eISBN:
9780191916632
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198528036.003.0014
Subject:
Chemistry, Thermochemistry and Chemical Thermodynamics

As we discussed earlier in this book, thermodynamics provides very general relations between the properties of a system. On the other hand, thermodynamics is unable to ... More


Introduction to Chemical Kinetic Processes

John Ross, Igor Schreiber, and Marcel O. Vlad

in Determination of Complex Reaction Mechanisms: Analysis of Chemical, Biological, and Genetic Networks

Published in print:
2006
Published Online:
November 2020
ISBN:
9780195178685
eISBN:
9780197562277
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195178685.003.0004
Subject:
Chemistry, Physical Chemistry

It is useful to have a brief discussion of some kinetic processes that we shall treat in later chapters. Some, but not all, of the material in this chapter is presented in [1] in more detail. A ... More


Chemical Reaction Kinetics in Solution

W. Ronald Fawcett

in Liquids, Solutions, and Interfaces: From Classical Macroscopic Descriptions to Modern Microscopic Details

Published in print:
2004
Published Online:
November 2020
ISBN:
9780195094329
eISBN:
9780197560747
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195094329.003.0011
Subject:
Chemistry, Physical Chemistry

The kinetics of chemical reactions were first studied in liquid solutions. These experiments involved mixing two liquids and following the change in the concentration of a reactant or product with ... More


Kinetics of homogeneous chemical reactions

Boris S. Bokstein, Mikhail I. Mendelev, and David J. Srolovitz

in Thermodynamics and Kinetics in Materials Science: A Short Course

Published in print:
2005
Published Online:
November 2020
ISBN:
9780198528036
eISBN:
9780191916632
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198528036.003.0010
Subject:
Chemistry, Thermochemistry and Chemical Thermodynamics

Kinetics considers the rates of different processes. Chemical kinetics refers to the rates and mechanisms of chemical reactions and mass transfer (diffusion). Recall ... More


Tools of the Trade

Robert B. Jordan

in Title Pages

Published in print:
2007
Published Online:
November 2020
ISBN:
9780195301007
eISBN:
9780197562406
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195301007.003.0003
Subject:
Chemistry, Inorganic Chemistry

This chapter covers the basic terminology and theory related to the types of studies that are commonly used to provide information about a reaction mechanism. The emphasis is on the practicalities ... More


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