Computational Modeling for Homogeneous and Enzymatic Catalysis

A Knowledge-Base for Designing Efficient Catalysts

Morokuma, Keiji / Musaev, Djamaladdin G. (Herausgeber)

1. Auflage Januar 2008
XX, 378 Seiten, Hardcover
199 Abbildungen (1 Farbabbildungen)
44 Tabellen
Monographie

Kurzbeschreibung

Here you find the most active and productive computational scholars working in the field, who put the latest advances together. An extensive knowledge-base for understanding the fundamentals of homogeneous catalysis and for designing efficient catalysts is presented.

ISBN: 978-3-527-31843-8

Wiley-VCH, Weinheim

Wiley Online Library Probekapitel

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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.

Homogeneous Catalyst Mechanism
Biocatalysts
Polymerization Catalysts
Organometallic Reactions
Asymmetric Catalysts
Metalloenzymes

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.

K. Morokuma, Department of Chemistry, Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, USA; D. G. Musaev, Department of Chemistry, Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, USA