Rate Constant Calculation for Thermal Reactions : Methods and Applications.

• 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.

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...