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.

Keiji Morokuma is William H. Emerson Professor Emeritus of Chemistry at Emory University in Atlanta, USA, and also Research Leader at Fukui Institute for Fundamental Chemistry at Kyoto University, Japan. Prof. Morokuma has authored over 600 scientific publications and has received numerous scientific awards, including Chemical Society of Japan Award, Schrödinger Medal from World Association of Theoretical Organic Chemists, Fukui Medal of Asian-Pacific Association of Theoretical and Computational Chemists. He was President of International Academy of Quantum Molecular Science from 2000-2006.

Jamal Musaev is the principal scientist and manager of the Emerson Center at Emory University in Atlanta, USA. Dr. Musaev has authored over 200 scientific publications and delivered numerous invited scientific lectures at universities and R&D centers of more than 15 countries. Scientific interest of Dr. Musaev includes the elucidation of principles and mechanisms of vital catalytic processes on transition-metal complexes, nano-structures, and metalloenzymes.