Computational Methods in Catalysis and Materials Science: An Introduction for Scientists and Engineers
Copyright © 2009 Wiley-VCH Verlag GmbH & Co. KGaA
Editor(s): Rutger A. van Santen, Philippe Sautet
Published Online: 24 JUN 2009
Print ISBN: 9783527320325
Online ISBN: 9783527625482
About this Book
This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with relevant applications, such as spectroscopic properties, chemical reactivity and transport properties of catalytically interesting materials. Edited and authored by internationally recognized scientists, the text provides examples that may be considered and followed as state-of-the art.