Computational Methods in Catalysis and Materials Science —— An Introduction for Scientists and Engineers

----- 催化与材料科学计算方法概要

ISBN: 9783527320325 出版年：2015 页码：472 Rutger A Van Santen Philippe Sautet Wiley

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.