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Santen, Rutger A. van

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

Santen, Rutger A. van - Computational Methods in Catalysis and Materials Science: An Introduction for Scientists and Engineers, ebook

124,30€

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ISBN: 9783527802661
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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.

Keywords: methodology; carparinello; correlations; graining; dftperiodic; approaches; harteefock; molecular; functional; dynamics; theory; coarse; multiscale; diffusion; equilibrium monte; methods; fields; reactive; carlo; force; applied; kinetic monte, General & Introductory Chemical Engineering, Thin Films, Surfaces & Interfaces, General & Introductory Chemical Engineering, Thin Films, Surfaces & Interfaces

Editor
 
Publisher
John Wiley and Sons, Inc.
Publication year
2009
Language
en
Edition
1
Page amount
472 pages
Category
Technology, Energy, Traffic
Format
Ebook
eISBN (ePUB)
9783527802661
Printed ISBN
9783527320325

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