Provides a thorough and up-to-date treatment of chemical kinetics and catalysis, combining traditional background information with the latest computational methods for fitting data to appropriate rate equations. Demonstrates how the vastly improved computational tools now available allow application of kinetic concepts to understanding and predicting the behavior of diverse and complex phenomena, including biological systems, semiconductor growth, and corrosion.
- Contains chapters reviewing of kinetic concepts, introducing kinetics via rate equations and mechanisms, explaining the theory of reaction rates (a section on trajectory calculations to simulate reactions), predicting potential energy surfaces (methods for directing the reaction rate), and discussing catalysis with a focus on modifying the reaction rate.
- A useful reference guide, providing the essential basics along with numerous solved examples, problems, and illustrative computer programs.Die traditionelle Behandlung der Grundlagen der chemischen Kinetik und der Katalyse wird in diesem Buch sinnvoll verknupft mit der Prasentation aktueller Rechenmethoden. Der Autor fuhrt vor, in welcher Weise sich Reaktionsmechanismen vorhersagen und A-priori-Zeitgesetze formulieren lassen. Anwenden lassen sich die Konzepte auf die Erforschung komplexer Phanomene, beispielsweise in biologischen Systemen, bei der Synthese von Halbleitern und bei Korrosionsprozessen.
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