Rate Constant Calculation for Thermal Reactions : Methods and Applications.

Rate Constant Calculation for Thermal Reactions : Methods and Applications.

Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applicati...

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Bibliographic Details
Main Author: DaCosta, Herbert
Other Authors: Fan, Maohong
Format: eBook
Language:English
Published: Hoboken : John Wiley & Sons, 2011.
Subjects:
Chemical kinetics > Effect of temperature on > Mathematics.
Numerical calculations.
SCIENCE > Life Sciences > Biochemistry.
Thermochemistry > Mathematics.
Chemistry.
Science.
SCIENCE > Chemistry > Physical & Theoretical.
Thermochemie.
Kinetik.
Reaktionsgeschwindigkeit.
Mathematische Methode.
Electronic books.
Online Access:Full Text via HEAL-Link
Description
Summary:Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas.
Physical Description:1 online resource (360 pages)
Bibliography:Includes bibliographical references and index.
ISBN:9781118166123
1118166124
9781118166093
1118166094
1283401258
9781283401258
DOI:10.1002/9781118166123

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