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.
Rutger A. van Santen
Catalysis Chemical Engineering Chemie Chemische Verfahrenstechnik Chemistry Computational Chemistry & Molecular Modeling Computational Chemistry u. Molecular Modeling Dünne Schichten, Oberflächen u. Grenzflächen Industrial Chemistry Katalyse Materials Science Materialwissenschaften Physical Chemistry Physikalische Chemie Spectroscopy