Computational Modeling For Homogeneous And Enzymatic Catalysis
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Computational Modeling for Homogeneous and Enzymatic Catalysis
Author | : Keiji Morokuma,Djamaladdin G. Musaev |
Publsiher | : John Wiley & Sons |
Total Pages | : 398 |
Release | : 2008-04-09 |
Genre | : Science |
ISBN | : 9783527621972 |
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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.
Computational Modeling of Homogeneous Catalysis
Author | : Feliu Maseras,Agustí Lledós |
Publsiher | : Springer Science & Business Media |
Total Pages | : 368 |
Release | : 2006-04-11 |
Genre | : Science |
ISBN | : 9780306477188 |
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Recent results on a wide array of catalytic processes are collected in this volume. The book illustrates the importance of computational modelling in homogeneous catalysis by providing up-to-date reviews of its application to a variety of reactions of industrial interest.
Computational Studies in Organometallic Chemistry
Author | : Stuart A. Macgregor,Odile Eisenstein |
Publsiher | : Springer |
Total Pages | : 181 |
Release | : 2016-05-14 |
Genre | : Science |
ISBN | : 9783319316383 |
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The series Structure and Bonding publishes critical Reviews on Topics of Research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed.
Applied Homogeneous Catalysis with Organometallic Compounds
Author | : Boy Cornils,Wolfgang A. Herrmann,Matthias Beller,Rocco Paciello |
Publsiher | : John Wiley & Sons |
Total Pages | : 1872 |
Release | : 2017-09-05 |
Genre | : Science |
ISBN | : 9783527651764 |
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The completely revised third edition of this four-volume classic is fully updated and now includes such topics as as CH-activation and multicomponent reactions. It describes the most important reaction types, new methods and recent developments in catalysis. The internationally renowned editors and a plethora of international authors (including Nobel laureate R. Noyori) guarantee high quality content throughout the book. A "must read" for everyone in academia and industry working in this field.
Computer Modeling of Chemical Reactions in Enzymes and Solutions
Author | : Arieh Warshel |
Publsiher | : Wiley-Interscience |
Total Pages | : 264 |
Release | : 1991-11-29 |
Genre | : Computers |
ISBN | : UOM:39015024769096 |
Download Computer Modeling of Chemical Reactions in Enzymes and Solutions Book in PDF, Epub and Kindle
This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.
Computational Methods in Catalysis and Materials Science
Author | : Rutger A. van Santen,Philippe Sautet |
Publsiher | : John Wiley & Sons |
Total Pages | : 472 |
Release | : 2015-11-19 |
Genre | : Technology & Engineering |
ISBN | : 9783527802661 |
Download Computational Methods in Catalysis and Materials Science Book in PDF, Epub and Kindle
This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with relevant applications, such as spectroscopic properties, chemical reactivity and transport properties of catalytically interesting materials. Edited and authored by internationally recognized scientists, the text provides examples that may be considered and followed as state-of-the art.
Molecular Modeling of Inorganic Compounds
Author | : Peter Comba,Trevor W. Hambley,Bodo Martin |
Publsiher | : John Wiley & Sons |
Total Pages | : 344 |
Release | : 2009-07-10 |
Genre | : Science |
ISBN | : 9783527628131 |
Download Molecular Modeling of Inorganic Compounds Book in PDF, Epub and Kindle
After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.
Fundamentals of Organometallic Catalysis
Author | : Dirk Steinborn |
Publsiher | : John Wiley & Sons |
Total Pages | : 475 |
Release | : 2011-11-30 |
Genre | : Technology & Engineering |
ISBN | : 9783527327164 |
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Clearly structured and written with advanced undergraduate, graduate and PhD students in mind, this English edition of a successful German textbook not only focuses on organic reactions, but also on bio-relevant reactions. Important aspects of the catalytic mechanisms are discussed in detail while much additional information is also provided, such as industrial applications of the processes covered. With its many questions and answers included in all chapters at different knowledge levels, this book is also ideal for self-testing before exams.