Computational Modeling for Homogeneous and Enzymatic Catalysis

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.