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Mechanistic Insights Into Enzymatic And Homogeneous Transition Metal Catalysis From Quantum Chemical Calculations
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Book Synopsis Mechanistic Insights Into Enzymatic and Homogeneous Transition Metal Catalysis from Quantum-chemical Calculations by :
Download or read book Mechanistic Insights Into Enzymatic and Homogeneous Transition Metal Catalysis from Quantum-chemical Calculations written by and published by . This book was released on 2015 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Theoretical Aspects of Transition Metal Catalysis by : Gernot Frenking
Download or read book Theoretical Aspects of Transition Metal Catalysis written by Gernot Frenking and published by Springer Science & Business Media. This book was released on 2005-06-23 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds. Many efforts are being made by industry and academia to find new and more efficient catalysts for chemical processes. Transition metals play a prominent role in catalytic research because they have been proven to show an enormous diversity in lowering the activation barrier for chemical reactions. For many years, the search for new catalysts was carried out by trial and error, which was costly and time consuming. The understanding of the mechanism of the catalytic process is often not very advanced because it is difficult to study the elementary steps of the catalysis with experimental techniques. The development of modern quantum chemical methods for calculating possible intermediates and transition states was a breakthrough in gaining an understanding of the reaction pathways of transition metal catalyzed reactions. This volume, organized into eight chapters written by leading scientists in the field, illustrates the progress made during the last decade. The reader will obtain a deep insight into the present state of quantum chemical research in transition metal catalysis.
Book Synopsis Homogeneous Transition-metal Catalysis by : Christopher Masters
Download or read book Homogeneous Transition-metal Catalysis written by Christopher Masters and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Soluble catalysts are used extensively in many branches of chemistry and are indeed a vital constituent of many natural processes. They find wide application throughout the chemical industry where they assist in the production of several million tonnes of chemicals each year. Since homogeneous systems, especially those incorporating transition metals, often function effectively under milder conditions than their heterogeneous counterparts, they are becoming increasingly important at a time when the chemical industry in particular, and society in general, is seeking ways of conserving energy and of making the best possible use of available resources. My principal objective in- writing this book is to engender sufficient enthusiasm for, and knowledge of, the subject in the reader that he or she will be encouraged to begin, or continue, to make their own contribution to advancing our knowledge of homogeneous catalysis. After attempting to acquaint the reader with some of the ground rules I have tried to describe the present scope, and the future potential, of this fascinating field of chemistry by drawing both on academic and on industrial data sources. This approach stems from a personal conviction that future progress could be considerably hastened by a more meaningful dialogue between chemists working both in industrial and in academic research institutions. Wherever possible, examples of the commercial application of homogeneous catalyst systems have been included and no attempt has been made in any way to disguise the many unresolved questions and exciting challenges which still pervade this rapidly developing area.
Book Synopsis Mechanical Catalysis by : Gerhard Swiegers
Download or read book Mechanical Catalysis written by Gerhard Swiegers and published by John Wiley & Sons. This book was released on 2008-10-03 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a clear and systematic description of the key role played by catalyst reactant dynamism including: (i) the fundamental processes at work, (ii) the origin of its general and physical features, (iii) the way it has evolved, and (iv) how it relates to catalysis in man-made systems. Unifies homogeneous, heterogeneous, and enzymatic catalysis into a single, conceptually coherent whole. Describes how to authentically mimic the underlying principles of enzymatic catalysis in man-made systems. Examines the origin and role of complexity and complex Systems Science in catalysis--very hot topics in science today.
Book Synopsis Insights Into Catalytic Activities of Noble Transition Metal Complexes from Quantum-chemical Calculations by : Shahbaz Ahmad
Download or read book Insights Into Catalytic Activities of Noble Transition Metal Complexes from Quantum-chemical Calculations written by Shahbaz Ahmad and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Artificial Metalloenzymes and MetalloDNAzymes in Catalysis by : Montserrat Diéguez
Download or read book Artificial Metalloenzymes and MetalloDNAzymes in Catalysis written by Montserrat Diéguez and published by John Wiley & Sons. This book was released on 2018-02-27 with total page 495 pages. Available in PDF, EPUB and Kindle. Book excerpt: An important reference for researchers in the field of metal-enzyme hybrid catalysis Artificial Metalloenzymes and MetalloDNAzymes in Catalysis offers a comprehensive review of the most current strategies, developed over recent decades, for the design, synthesis, and optimization of these hybrid catalysts as well as material about their application. The contributors—noted experts in the field—present information on the preparation, characterization, and optimization of artificial metalloenzymes in a timely and authoritative manner. The authors present a thorough examination of this interesting new platform for catalysis that combines the excellent selective recognition/binding properties of enzymes with transition metal catalysts. The text includes information on the various applications of metal-enzyme hybrid catalysts for novel reactions, offers insights into the latest advances in the field, and contains an informative perspective on the future: Explores the development of artificial metalloenzymes, the modern and strongly evolving research field on the verge of industrial application Contains a comprehensive reference to the research area of metal-enzyme hybrid catalysis that has experienced tremendous growth in recent years Includes contributions from leading researchers in the field Shows how this new catalysis combines the selective recognition/binding properties of enzymes with transition metal catalysts Written for catalytic chemists, bioinorganic chemists, biochemists, and organic chemists, Artificial Metalloenzymes and MetalloDNAzymes in Catalysis offers a unique reference to the fundamentals, concepts, applications, and the most recent developments for more efficient and sustainable synthesis.
Book Synopsis Homogeneous Catalysis by : George William Parshall
Download or read book Homogeneous Catalysis written by George William Parshall and published by John Wiley & Sons. This book was released on 1980 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contains a balanced discussion of homogeneous catalytic reactions that are used in industry, featuring every documented example employed in a current commercial process, or that have a broad application in the organic synthesis laboratory. Incorporates synthesis with chiral catalysts in chapters on hydrogenation, CO chemistry and olefin oxidation. New additions include Tennessee Eastman's coal-based acetic anhydride plant and IFP's Dimersol process for dimerizing propylene as well as major changes in the areas on pharmaceuticals, flavors, fragrances, agricultural and electronic chemicals.
Author :Piet W.N.M. van Leeuwen Publisher :Springer Science & Business Media ISBN 13 :1402020007 Total Pages :413 pages Book Rating :4.4/5 (2 download)
Book Synopsis Homogeneous Catalysis by : Piet W.N.M. van Leeuwen
Download or read book Homogeneous Catalysis written by Piet W.N.M. van Leeuwen and published by Springer Science & Business Media. This book was released on 2006-08-02 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: No available as softcover No other book available that gives insight into so many reactions of importance, while the field of homogeneous catalysis is becoming more and more important to organic chemists, industrial chemists, and academia. Gives real insight in the many new and old reactions of importance, based on the author's extensive experience in both teaching and industrial practice. Provide background to chemists trained in a different discipline and graduate and masters students who take catalysis as a main or secondary topic.
Book Synopsis Homogeneous Transition-metal Catalysis by : Christopher. Masters
Download or read book Homogeneous Transition-metal Catalysis written by Christopher. Masters and published by Springer. This book was released on 1980-12-15 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Soluble catalysts are used extensively in many branches of chemistry and are indeed a vital constituent of many natural processes. They find wide application throughout the chemical industry where they assist in the production of several million tonnes of chemicals each year. Since homogeneous systems, especially those incorporating transition metals, often function effectively under milder conditions than their heterogeneous counterparts, they are becoming increasingly important at a time when the chemical industry in particular, and society in general, is seeking ways of conserving energy and of making the best possible use of available resources. My principal objective in· writing this book is to engender sufficient enthusiasm for, and knowledge of, the subject in the reader that he or she will be encouraged to begin, or continue, to make their own contribution to advancing our knowledge of homogeneous catalysis. After attempting to acquaint the reader with some of the ground rules I have tried to describe the .present scope, and the future potential, of this fascinating field of chemistry by drawing both on academic and on industrial data sources. This approach stems from a personal conviction that future progress could be considerably hastened by a more meaningful dialogue between chemists working both in industrial and in academic research institutions. Wherever possible, examples of the commercial application of homogeneous catalyst systems have been included and no attempt has been made in any way to disguise the many unresolved questions and exciting challenges which still pervade this rapidly developing area.
Book Synopsis Transition Metals in Homogeneous Catalysis by : Gerhard N. Schrauzer
Download or read book Transition Metals in Homogeneous Catalysis written by Gerhard N. Schrauzer and published by . This book was released on 1971 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Insights into Catalytic Transformations by : Maria Biosca
Download or read book Computational Insights into Catalytic Transformations written by Maria Biosca and published by Academic Press. This book was released on 2024-09-26 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Insights into Catalytic Transformations, Volume 75 in the Advances in Catalysis series, highlights new advances in the field, with this new volume presenting interesting chapters on topics including Quantum Chemical Investigations on Electrophilic F/CF3/SCF3 Transfer Hypervalent Iodine Reagents, Combining DFT and experimental studies in enantioselective catalysis. From rationalization to prediction, Molecular Modelling of encapsulation and reactivity within metallocages, On the role of computational chemistry in the design of artificial metalloenzymes, and Computational Modelling of Catalytic Oxidation Reactions with H2O2 promoted by transition metal-substituted polyoxometalates.
Book Synopsis Homogeneous Catalysis by : George W. Parshall
Download or read book Homogeneous Catalysis written by George W. Parshall and published by Wiley-Interscience. This book was released on 1992-08-07 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: The broadening technical advances in the production of pharmaceuticals, flavors, and fragrances have more than doubled the industrial applications of soluble transition metal catalysts. Indeed, transition metal catalysts have become an ascendant feature of a heightened academic interest in organometallic chemistry. This Second Edition of the landmark text offers a clear, systematic look at the state-of-the-science of homogeneous catalytic reactions. Focusing on specific processes, rather than principles of coordination or organometallic chemistry, this updated edition is an A-to-Z compilation of the homogeneous catalytic reactions commonly used in industry or that have broad application in the organic synthesis laboratory. Documenting examples of homogeneous catalytic reactions used in current commercial processes, this newest edition features Tennessee Eastman's coal-based acetic anhydride plant and IFP's Dimersol processes for dimerizing propylene as well as Du Pont's hydrocyanation process. Detailed coverage also includes isomerization of simple olefins, mechanism of olefin hydrogenation, oligomerization of olefins, chain transfer catalysis, reactions of carbon monoxide, specialty chemicals, reactions of acetylenes, esterification, polycondensation, and related processes. Featuring the latest findings in its existing coverage on pharmaceuticals, agricultural chemicals, flavors, fragrances, and electronic chemicals, this Second Edition clearly details the science's growing influence and practicality in industry and the lab. Organic and inorganic chemists, instructors, and students will find Homogeneous Catalysis, Second Edition a clear, up-to-date compendium of the catalytic reactionssharpening chemistry's cutting edge.
Book Synopsis Metal-Catalysis in Industrial Organic Processes by : Gian Paolo Chiusoli
Download or read book Metal-Catalysis in Industrial Organic Processes written by Gian Paolo Chiusoli and published by . This book was released on 2006-10-10 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis underpins most modern industrial organic processes. It has become an essential tool in creating a 'greener' chemical industry by replacing more traditional stoichiometric reactions, which have high energy consumption and high waste production, with mild processes which increasingly resemble Nature's enzymes. Metal-Catalysis in Industrial Organic Processes considers the major areas of the field and discusses the logic of using catalysis in industrial processes. The book provides information on oxidation, hydrogenation, carbonylation, C-C bond formation, metathesis and polymerization processes, as well as on the mechanisms involved. In addition two appendices offer a concise treatment of homogeneous and heterogeneous catalysis. Numerous exercises referring to problems of catalytic processes, and research perspectives complete the book. This definitive reference source, written by practising experts in the field, provides detailed and up-to-date information on key aspects of metal catalysis.
Book Synopsis Asymmetric Synthesis and Mechanistic Insights of Transition-Metal-Catalyzed Hydrogenation by : Jianping Yang
Download or read book Asymmetric Synthesis and Mechanistic Insights of Transition-Metal-Catalyzed Hydrogenation written by Jianping Yang and published by . This book was released on 2022 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Utilization of First-principles Based Models in the Mechanistic Studies of Thermocatalytic and Photocatalytic Processes on Transition Metal Surfaces by : Talin Avanesian
Download or read book Utilization of First-principles Based Models in the Mechanistic Studies of Thermocatalytic and Photocatalytic Processes on Transition Metal Surfaces written by Talin Avanesian and published by . This book was released on 2016 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this work we utilized quantum chemical calculations coupled with numerical and analytical models to predict macroscopic observables associated with catalytic and photocatalytic processes on transition metal surfaces. All the predicted macroscopic observables were validated based on experimental measurements. The theoretical models developed here provide atomic scale insights into the mechanisms of catalytic and photocatalytic processes and suggest areas for future research in the design of novel catalysts.
Book Synopsis Biomimetic Transition Metal Catalysts by :
Download or read book Biomimetic Transition Metal Catalysts written by and published by . This book was released on 2008 with total page 98 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis First-principles Transition-metal Catalysis by : Heather J. Kulik
Download or read book First-principles Transition-metal Catalysis written by Heather J. Kulik and published by . This book was released on 2009 with total page 221 pages. Available in PDF, EPUB and Kindle. Book excerpt: (Cont.) We apply our approach to several paradigmatic systems: spin state splittings and structural properties of Fe2 and other small molecules as well as the addition-elimination reactions of hydrogen and methane on FeO+ to form water and methanol, respectively. We find that errors from common density functionals which are over 1.0 eV are greatly reduced to on average 0.1 eV when the DFT+U approach is implemented as compared against experiment and highly accurate but expensive quantum chemistry. We also improve structural and vibrational properties, ground state spin identification for a given configuration, and qualitative descriptions of reaction mechanism. Thanks to the minimal overhead of our DFT+U approach, we have also studied properties of systems of over one thousand electrons in size: in particular, the spin density profiles of functionalized cobalt porphyrins on a metal slab support and the reaction mechanism of the halogenating non-heme Fe(II) enzyme, SyrB2. Efficient and accurate study of transition metal chemistry paves the way for predictive and targeted design of catalysts that provide unique solutions for green chemistry and optimal harnessing of alternative energy sources.
