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This comprehensive text covers: * Introduction to kinetics via rate equations and mechanisms * Theory of reaction rates with a section on utilizing trajectory calculations to simulate reactions * Prediction of potential energy surfaces ...
Chemical Kinetics and Catalysis is a comprehensive guide to chemical kinetics and catalysis, and focuses on the use of computational tools for studying chemical kinetics and catalytic phenomena. 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.
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