Rate Constant Calculation for Thermal Reactions : Methods and Applications.

• Κύριος συγγραφέας: DaCosta, Herbert
• Άλλοι συγγραφείς: Fan, Maohong
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Hoboken : John Wiley & Sons, 2011.
• Θέματα: 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.
• Φυσική περιγραφή: 1 online resource (360 pages)
• Βιβλιογραφία: Includes bibliographical references and index.
• ISBN: 9781118166123; 1118166124; 9781118166093; 1118166094; 1283401258; 9781283401258
• DOI: 10.1002/9781118166123

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.