Computational Modeling For Homogeneous And Enzymatic Catalysis
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Computational Modeling For Homogeneous And Enzymatic Catalysis
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Author : Keiji Morokuma
language : en
Publisher: John Wiley & Sons
Release Date : 2008-04-09
Computational Modeling For Homogeneous And Enzymatic Catalysis written by Keiji Morokuma and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-04-09 with Science categories.
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
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Author : Feliu Maseras
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11
Computational Modeling Of Homogeneous Catalysis written by Feliu Maseras and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-04-11 with Science categories.
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.
Simulating Enzyme Reactivity Computational Methods In Enzyme Catalysis
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Author : John Maclane
language : en
Publisher: Createspace Independent Publishing Platform
Release Date : 2017-06-07
Simulating Enzyme Reactivity Computational Methods In Enzyme Catalysis written by John Maclane and has been published by Createspace Independent Publishing Platform this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-06-07 with categories.
The simulation of enzymatic processes is a well-established field within computational chemistry, as demonstrated by the 2013 Nobel Prize in Chemistry. It has been attracting increasing attention in recent years due to the potential applications in the development of new drugs or new environmental-friendly catalysts. Featuring contributions from renowned authors, including Nobel Laureate Arieh Warshel, this book explores the theories, methodologies and applications in simulations of enzyme reactions. It is the first book offering a comprehensive perspective of the field by examining several different methodological approaches and discussing their applicability and limitations. The book provides the basic knowledge for postgraduate students and researchers in chemistry, biochemistry and biophysics, who want a deeper understanding of complex biological process at the molecular level.
Computer Modeling Of Chemical Reactions In Enzymes And Solutions
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Author : Arieh Warshel
language : en
Publisher: Wiley-Interscience
Release Date : 1991-11-29
Computer Modeling Of Chemical Reactions In Enzymes And Solutions written by Arieh Warshel and has been published by Wiley-Interscience this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991-11-29 with Computers categories.
This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.
Simulating Enzyme Reactivity
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Author : Inaki Tunon
language : en
Publisher: Royal Society of Chemistry
Release Date : 2016-11-25
Simulating Enzyme Reactivity written by Inaki Tunon and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-25 with Science categories.
Exploring the theories, methodologies and applications in simulations of enzymatic reactions, this book is a great resource for postgraduate students and researchers.
Computational Modeling From Chemistry To Materials To Biology Proceedings Of The 25th Solvay Conference On Chemistry
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Author : Kurt Wuthrich
language : en
Publisher: World Scientific
Release Date : 2020-12-21
Computational Modeling From Chemistry To Materials To Biology Proceedings Of The 25th Solvay Conference On Chemistry written by Kurt Wuthrich and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12-21 with Science categories.
Chaired by K Wüthrich (Nobel Laureate in Chemistry, 2002) and co-chaired by B Weckhuysen, this by-invitation-only conference has gathered 39 participants — who are leaders in the field of computational modeling and its applications in Chemistry, Material Sciences and Biology. Highlights of the Conference Proceedings are short, prepared statements by all the participants and the records of lively discussions on the current and future perspectives in the field of computational modeling, from chemistry to materials to biology.
Computational Studies In Organometallic Chemistry
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Author : Stuart A. Macgregor
language : en
Publisher: Springer
Release Date : 2016-05-14
Computational Studies In Organometallic Chemistry written by Stuart A. Macgregor and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-05-14 with Science categories.
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
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Author : Boy Cornils
language : en
Publisher: John Wiley & Sons
Release Date : 2017-09-05
Applied Homogeneous Catalysis With Organometallic Compounds written by Boy Cornils and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-09-05 with Science categories.
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.
Computational Methods In Catalysis And Materials Science
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Author : Rutger A. van Santen
language : en
Publisher: John Wiley & Sons
Release Date : 2015-11-19
Computational Methods In Catalysis And Materials Science written by Rutger A. van Santen and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-19 with Technology & Engineering categories.
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
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Author : Peter Comba
language : en
Publisher: John Wiley & Sons
Release Date : 2009-07-10
Molecular Modeling Of Inorganic Compounds written by Peter Comba and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-07-10 with Science categories.
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.