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Molecular heterogeneous catalysis : a conceptual and computational approach
Authors: ---
ISBN: 352729662X 9783527296620 Year: 2006 Publisher: Weinheim: Wiley,

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"An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, derived from the recent advances in the growing field of theoretical catalysis. The authors develop a general conceptual framework for understanding catalysis and present in-depth comparisons between heterogeneous catalytic systems with those found in enzyme catalysis, biomineralization, organometallic chemistry and coordination chemistry. They describe the mechanistic features that control different catalytic materials and systems, such as metals, bimetallics, zeolites, metal oxides, metal sulfides and molecular complexes. The emerging field of electrocatalysis for fuel cells and electrochemical conversion processes is also introduced and compared with classical heterogeneous catalysis. The book presents the results from a broad range of computational methods, including ab initio quantum mechanical approaches, Monte Carlo methods and molecular dynamics. Finally, complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, while the final sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry."--BOOK JACKET.


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Catalysis for renewables: from feedstock to energy production
Authors: ---
ISBN: 9077423141 Year: 2007 Publisher: Weinheim Wiley-VCH


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Computational methods in catalysis and materials science : an introduction for scientists and engineers
Authors: ---
ISBN: 9783527320325 3527320326 Year: 2009 Publisher: Weinheim: Wiley,

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Transition metal sulphides : chemistry and catalysis
Authors: --- ---
ISBN: 0792352556 9048151007 9401735778 Year: 1998 Volume: 60 Publisher: Dordrecht : Kluwer,

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Hydrotreating catalysis with transition metal sulphides is one of the most important areas of industrial heterogeneous catalysis. The present book deals with the chemical and catalytic aspects of transition metal sulphides, focusing on their use in hydrotreating catalysis. The book¿s 12 chapters present reviews of solid-state, coordination and organometallic chemistry, surface science and spectroscopic studies, quantum chemical calculations, catalytic studies with model and real catalysts, as well as refinery processes. A presentation of state-of-the-art background to pertinent work in the field. Can be used as an introduction to the chemical and catalytic properties of transition metal sulphides as well as an advanced level reference.

Fundamental aspects of heterogeneous catalysis studied by particle beams
Authors: --- ---
ISBN: 0306440024 146845966X 1468459643 9780306440021 Year: 1991 Volume: 265 Publisher: New York London Plenum Press

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Elementary reaction steps in heterogeneous catalysis : proceedings of the Nato Advanced Research Workshop ... held in Bédoin, Vaucluse, France, 1-7 November 1992
Authors: --- --- --- ---
ISBN: 0792322843 9401047413 9401116938 9780792322849 Year: 1993 Volume: 398

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