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  • 1
    UID:
    almafu_9959327859502883
    Format: 1 online resource (xx, 378 pages) : , illustrations
    ISBN: 9783527621965 , 3527621962 , 9783527318438 , 3527318437 , 9783527621972 , 3527621970 , 1282372238 , 9781282372238
    Content: "Here, the world's most active and productive computational scientists from academia and industry present established, effective and powerful tools for understanding catalysts. With its broad scope - nitrogen fixation, polymerization, C-H bond activation, oxidations, biocatalysis and much more - this book represents an extensive knowledge base for designing efficient catalysts, allowing readers to improve the performance of their own catalysts."--Jacket.
    Note: Computational Modeling for Homogeneous and Enzymatic Catalysis; Contents; Preface; List of Contributors; 1 Computational Insights into the Structural Properties and Catalytic Functions of Selenoprotein Glutathione Peroxidase (GPx); 2 A Comparison of Tetrapyrrole Cofactors in Nature and their Tuning by Axial Ligands; 3 Modeling of Mechanisms for Metalloenzymes where Protons and Electrons Enter or Leave; 4 Principles of Dinitrogen Hydrogenation: Computational Insights; 5 Mechanism of Palladium-catalyzed Cross-coupling Reactions. , 6 Transition Metal Catalyzed CarbonCarbon Bond Formation: The Key of Homogeneous Catalysis7 Olefin Polymerization Using Homogeneous Group IV Metallocenes; 8 Group Transfer Polymerization of Acrylates with Mono Nuclear Early d- and f-block Metallocenes. A DFT Study; 9 Insights into the Mechanism of H(2)O(2)-based Olefin Epoxidation Catalyzed by the Lacunary [?-(SiO(4)) W(10)O(32)H(4)](4) an; 10 CH Bond Activation by Transition Metal Oxides; 11 Mechanism of Ru- and Mo-cata. , English.
    Additional Edition: Print version: Computational modeling for homogeneous and enzymatic catalysis. Weinheim : Wiley-VCH ; Chichester : John Wiley [distributor], 2008 ISBN 9783527318438
    Additional Edition: ISBN 3527318437
    Language: English
    Keywords: Electronic books. ; Electronic books. ; Electronic books.
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