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Computational Methods in Catalysis and Materials Science - An Introduction for Scientists and Engineers (Wiley, 2009) pdf

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 							ISBN 9783527320325
  
  
  
  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. 						

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