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Author : Abraham Drury
Publisher :
ISBN 13 :
Total Pages : 1116 pages
Book Rating : 4.U/5 (183 download)
Download or read book Quantum Aspects of Catalysis written by Abraham Drury and published by . This book was released on 1957 with total page 1116 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Raymond R. Myers
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (32 download)
Download or read book Quantum Aspects of Catalysis : the Drying of Linssed Oil written by Raymond R. Myers and published by . This book was released on 1959 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Raymond R. Myers
Publisher :
ISBN 13 :
Total Pages : 11 pages
Book Rating : 4.:/5 (24 download)
Download or read book Quantum Aspects of Catalysis written by Raymond R. Myers and published by . This book was released on 1958 with total page 11 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (141 download)
Download or read book Quantum Aspects of Catalysis: Oxidations and Other Reactions of Ethylene written by and published by . This book was released on 1958 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Raymond R. Myers
Publisher :
ISBN 13 :
Total Pages : 1176 pages
Book Rating : 4.3/5 ( download)
Download or read book Quantum Aspects of Catalysis written by Raymond R. Myers and published by . This book was released on 1959 with total page 1176 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Rudolf K. Allemann
Publisher : Royal Society of Chemistry
ISBN 13 : 0854041222
Total Pages : 412 pages
Book Rating : 4.8/5 (54 download)
Download or read book Quantum Tunnelling in Enzyme-catalysed Reactions written by Rudolf K. Allemann and published by Royal Society of Chemistry. This book was released on 2009 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years, there has been an explosion in knowledge and research associated with the field of enzyme catalysis and H-tunneling. Rich in its breath and depth, this introduction to modern theories and methods of study is suitable for experienced researchers those new to the subject. Edited by two leading experts, and bringing together the foremost practitioners in the field, this up-to-date account of a rapidly developing field sits at the interface between biology, chemistry and physics. It covers computational, kinetic and structural analysis of tunnelling and the synergy in combining these methods (with a major focus on H-tunneling reactions in enzyme systems). The book starts with a brief overview of proton and electron transfer history by Nobel Laureate, Rudolph A. Marcus. The reader is then guided through chapters covering almost every aspect of reactions in enzyme catalysis ranging from descriptions of the relevant quantum theory and quantum/classical theoretical methodology to the description of experimental results. The theoretical interpretation of these large systems includes both quantum mechanical and statistical mechanical computations, as well as simple more approximate models. Most of the chapters focus on enzymatic catalysis of hydride, proton and H" transfer, an example of the latter being proton coupled electron transfer. There is also a chapter on electron transfer in proteins. This is timely since the theoretical framework developed fifty years ago for treating electron transfers has now been adapted to H-transfers and electron transfers in proteins. Accessible in style, this book is suitable for a wide audience but will be particularly useful to advanced level undergraduates, postgraduates and early postdoctoral workers.
Author :
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (141 download)
Download or read book Quantum Aspects of Catalysis: the Drying of Linseed Oil written by and published by . This book was released on 1959 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Guy-Laurent Rémillard
Publisher :
ISBN 13 :
Total Pages : 30 pages
Book Rating : 4.:/5 (155 download)
Download or read book Quantum Aspects of Catalysis written by Guy-Laurent Rémillard and published by . This book was released on 1958 with total page 30 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : John B. Moffat
Publisher : Springer Science & Business Media
ISBN 13 : 9401098824
Total Pages : 548 pages
Book Rating : 4.4/5 (1 download)
Download or read book Theoretical Aspects of Heterogeneous Catalysis written by John B. Moffat and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis involves just about every field of scientific study. This means that a multidisciplinary approach is needed in catalytic studies. Catalysis involves breaking and forming new bonds and this requires an under standing of either adsorption by bonding to an extended structures or bonding in a coordination sphere. Any understanding of catalytic action must necessarily involve an understanding of this bonding. Even 200 years ago scientists were aware that a properly treated mate rial, such as charcoal, could adsorb an enormous quantity of gas. In 1812, de Sassasure (English translation, Annal Philosphy, 6, 241 (1815» pro posed that the ability of a material to increase the rate of chemical reac tion was due to adsorption of the material in the fine structure of the solid so that the concentrations of the reactants were significantly increased, and this increase in concentration led to an increase in reaction rate. During the 1800s, little advance was made in the understanding of adsorp tion.
Author : F. Ruette
Publisher : Springer Science & Business Media
ISBN 13 : 9401728259
Total Pages : 379 pages
Book Rating : 4.4/5 (17 download)
Download or read book Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis written by F. Ruette and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of "high-tech" materials in contemporary industries is deeply related to a detailed understanding of specific surface properties of catalysts which make particular reactions possible. But this understanding presupposes that there exists a body of theory capable of explaining situations not easily accessible to experimental methods and of relating experimental findings among themselves and with theoretical constructs. For these reasons, theoretical developments in surface physics and surface chemistry of transition metal compounds have been of paramount importance in promoting progress in catalysis, electronic devices, corrosion, etc. Although a great variety of spectroscopic methods for analyzing solids and surfaces at molecular scale have been introduced in recent years, nevertheless, many questions about the adsorption sites and intermediates, the effect of promoters, the poisoning of active sites, the nature of segregation of impurities, the process of surface reconstruction, the mechanisms of reactions, etc. have remained unanswered simply because of the great complexity of surface phenomena. It is in this sense that quantum mechanical method- combined with experimental data - may shed some light on the microscopic properties of new surface materials.
Author : M.A. Nascimento
Publisher : Springer Science & Business Media
ISBN 13 : 0306476673
Total Pages : 262 pages
Book Rating : 4.3/5 (64 download)
Download or read book Theoretical Aspects of Heterogeneous Catalysis written by M.A. Nascimento and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous catalysis is a fascinating and complex subject of utmost importance in the present day. Its immense technological and economical importance and the inherent complexity of the catalytic phenomena have stimulated theoretical and experimental studies by a broad spectrum of scientists, including chemists, physicists, chemical engineers, and material scientists. Computational and theoretical techniques are now having a major impact in this field. This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal surfaces. The book covers: the use of techniques of computational chemistry to simulate zeolites, metallic and bimetallic surfaces, and oxide-supported metals; the impact of simulation methods on the understanding of the diffusion and adsorption of molecules and cations within the pores of zeolites, and also on the adsorption of molecules on metal and metal-oxide surfaces; and the applications of quantum-mechanical methods to the study of the reaction mechanism and pathways of the adsorbed molecules. This book is recommended primarily to scientists and graduate students conducting research in the fields of heterogeneous catalysis and surface science. It will also be valuable to advanced undergraduate students wishing to become acquainted with the latest developments in these exciting fields of research, and to experimentalists seeking theoretical support for interpreting their results.
Author : Darrin M. York
Publisher : Springer Science & Business Media
ISBN 13 : 1402099568
Total Pages : 426 pages
Book Rating : 4.4/5 (2 download)
Download or read book Multi-scale Quantum Models for Biocatalysis written by Darrin M. York and published by Springer Science & Business Media. This book was released on 2009-05-30 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: “Multi-scale Quantum Models for Biocatalysis” explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics. This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes. This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas.
Author : Gernot Frenking
Publisher : Springer Science & Business Media
ISBN 13 : 9783540235101
Total Pages : 284 pages
Book Rating : 4.2/5 (351 download)
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.
Author : Wey Yang Teoh
Publisher : John Wiley & Sons
ISBN 13 : 352781356X
Total Pages : 768 pages
Book Rating : 4.5/5 (278 download)
Download or read book Heterogeneous Catalysts written by Wey Yang Teoh and published by John Wiley & Sons. This book was released on 2021-02-23 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techniques in heterogeneous catalysis, from new methodology for catalysts design and synthesis, surface studies and operando spectroscopies, ab initio techniques, to critical catalytic systems as relevant to energy and the environment. It provides the vision of addressing the foreseeable knowledge gap unfilled by classical knowledge in the field. Heterogeneous Catalysts: Advanced Design, Characterization and Applications begins with an overview on the evolution in catalysts synthesis and introduces readers to facets engineering on catalysts; electrochemical synthesis of nanostructured catalytic thin films; and bandgap engineering of semiconductor photocatalysts. Next, it examines how we are gaining a more precise understanding of catalytic events and materials under working conditions. It covers bridging pressure gap in surface catalytic studies; tomography in catalysts design; and resolving catalyst performance at nanoscale via fluorescence microscopy. Quantum approaches to predicting molecular reactions on catalytic surfaces follows that, along with chapters on Density Functional Theory in heterogeneous catalysis; first principles simulation of electrified interfaces in electrochemistry; and high-throughput computational design of novel catalytic materials. The book also discusses embracing the energy and environmental challenges of the 21st century through heterogeneous catalysis and much more. Presents recent developments in heterogeneous catalysis with emphasis on new fundamentals and emerging techniques Offers a comprehensive look at the important aspects of heterogeneous catalysis Provides an applications-oriented, bottoms-up approach to a high-interest subject that plays a vital role in industry and is widely applied in areas related to energy and environment Heterogeneous Catalysts: Advanced Design, Characterization and Applications is an important book for catalytic chemists, materials scientists, surface chemists, physical chemists, inorganic chemists, chemical engineers, and other professionals working in the chemical industry.
Author : Piet W.N.M. van Leeuwen
Publisher : Springer Science & Business Media
ISBN 13 : 9401104751
Total Pages : 219 pages
Book Rating : 4.4/5 (11 download)
Download or read book Theoretical Aspects of Homogeneous Catalysis written by Piet W.N.M. van Leeuwen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 219 pages. Available in PDF, EPUB and Kindle. Book excerpt: This publication is the first to present the quantitative application of quantum chemistry to organometallic reactions. Great progress has been made in recent years in the calculation of transition states of organometallic conversions in both homo and heterogeneous catalysis. This volume, which contains seven contributions by leading scientists, deals with key reactions of homogeneous catalysis including oxidative addition, migratory insertions, 2+2 additions, the Wacker reaction, and epoxidation. The book provides experimental chemists with an up-to-date overview of the state of the art in this field, and will stimulate an adjustment of views previously based on semiempirical calculations. For researchers and advanced graduate students whose work involves organometallics and catalysis.
Author : Rutger A. van Santen
Publisher : John Wiley & Sons
ISBN 13 : 3527608346
Total Pages : 488 pages
Book Rating : 4.5/5 (276 download)
Download or read book Molecular Heterogeneous Catalysis written by Rutger A. van Santen and published by John Wiley & Sons. This book was released on 2009-06-10 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical catalysis community over the past half century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry. A chapter dedicated to molecular electrocatalysis addresses the molecular description of reactions at the liquid-solid interphase, while studies range from a quantum-chemical treatment of individual molecular states to dynamic Monte-Carlo simulations, including the full flexibility of the many-particle systems. Complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, and other sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry.
Author : F. Ruette
Publisher :
ISBN 13 : 9789401728263
Total Pages : 388 pages
Book Rating : 4.7/5 (282 download)
Download or read book Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis written by F. Ruette and published by . This book was released on 2014-01-15 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt:
