This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with r

First-principles-based modelling of catalysts is a growing field and the past decade has seen the range of applications for it increase. Improvements in computi

An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical ca

Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techn

This long-awaited reference source is the first book to focus on this important and hot topic. As such, it provides examples from a wide array of fields where c