Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts

Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts

Editor(s): Keiji Morokuma, Djamaladdin G. Musaev

Published Online: 1 APR 2008

Print ISBN: 9783527318438

Online ISBN: 9783527621965

DOI: 10.1002/9783527621965

About this Book

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.

Table of contents

    1. You have free access to this content
    2. Chapter 4

      Principles of Dinitrogen Hydrogenation: Computational Insights (pages 83–108)

      Dr. Djamaladdin G. Musaev, Petia Bobadova-Parvanova and Prof. Dr. Keiji Morokuma

    3. You have free access to this content

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