Download or read book Ab Initio Study of Co Oxidation Reaction on Transition Metal Catalysts written by Ihsan Atiyeh Ata Erikat and published by . This book was released on 2008 with total page 155 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Ab Initio DFT Modeling of the Oxidation of Methane on Transition Metal Catalysts written by George Psofogiannakis and published by . This book was released on 2007 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Ab Initio Studies of the Activity and Selectivity of Transition Metal Catalysts for CO Hydrogenation written by Martin Maximilian Deimel and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.

Download or read book Nanocatalysis written by Ulrich Heiz and published by Springer Science & Business Media. This book was released on 2007-01-10 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanocatalysis, a subdiscipline of nanoscience, seeks to control chemical reactions by changing the size, dimensionality, chemical composition, and morphology of the reaction center and by changing the kinetics using nanopatterning of the reaction center. This book offers a detailed pedagogical and methodological overview of the field. Readers discover many examples of current research, helping them explore new and emerging applications.

Download or read book The Microkinetics of Heterogeneous Catalysis written by J. A. Dumesic and published by Wiley-VCH. This book was released on 1993-04-20 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Defines the emerging field of catalytic reaction synthesis in the search for new catalysts and catalytic processes. Illustrates how experimental data from diverse sources can be consolidated to form a quantitative description of the essential chemistry taking place on the catalyst surface. Elucidates the possible relationships between catalyst kinetic properties and surface chemical bonding properties. Offers examples of microkinetic analysis and catalytic reaction synthesis for a variety of catalytic reactions over metals, oxides, and zeolite catalysts. Illustrates the underlying strategy used to formulate a microkinetic model, calibrate the model to the existing experimental data, and assess the critical aspects of the essential surface chemistry involved in the catalytic process.

Download or read book Transition Metal Catalysis in Aerobic Alcohol Oxidation written by Francesca Cardona and published by Royal Society of Chemistry. This book was released on 2015 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with the search for environmentally benign procedures for the oxidation of alcohols and gives an overview of their transition-metal-catalyzed aerobic oxidation.

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.

Download or read book Functional Nanometer Sized Clusters of Transition Metals written by Wei Chen and published by Royal Society of Chemistry. This book was released on 2014-08-14 with total page 465 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal nanoclusters, which bridge metal atoms and nanocrystals, are gaining attention due to their unique chemical and physical properties which differ greatly from their corresponding large nanoparticles and molecular compounds. Their electronic and optical properties are of particular interest for their use in sensing, optoelectronics, photovoltaics and catalysis. The book highlights recent progress and challenges in size-controlled synthesis, size-dependent properties, characterization and applications of metal nanoclusters. Specific topics include organochalcogenolate-stabilized metal nanoparticles, water-soluble fluorescent silver nanoclusters, thiolate-protected Au and Ag nanoclusters, DNA-templated metal nanoclusters, fluorescent platinum nanoclusters and janus nanoparticles by interfacial engineering. Edited by active researchers in the area, the book provides a valuable reference for researchers in the area of functional nanomaterials. It also provides a guide for graduate students, academic and industrial researchers interested in the fundamentals of the materials or their applications.

Download or read book Catalytic Air Pollution Control written by Ronald M. Heck and published by John Wiley & Sons. This book was released on 2016-03-07 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalytic Air Pollution Control: Commercial Technology is the primary source for commercial catalytic air pollution control technology, offering engineers a comprehensive account of all modern catalytic technology. This Third Edition covers all the new advances in technology in automotive catalyst control technology, diesel engine catalyst control technology, small engine catalyst control technology, and alternate sustainable fuels for auto and diesel.

Download or read book Strong Metal support Interactions written by R. T. K. Baker and published by . This book was released on 1986 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions written by A.P.J. Jansen and published by Springer. This book was released on 2012-05-31 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kinetic Monte Carlo (kMC) simulations still represent a quite new area of research, with a rapidly growing number of publications. Broadly speaking, kMC can be applied to any system describable as a set of minima of a potential-energy surface, the evolution of which will then be regarded as hops from one minimum to a neighboring one. The hops in kMC are modeled as stochastic processes and the algorithms use random numbers to determine at which times the hops occur and to which neighboring minimum they go. Sometimes this approach is also called dynamic MC or Stochastic Simulation Algorithm, in particular when it is applied to solving macroscopic rate equations. This book has two objectives. First, it is a primer on the kMC method (predominantly using the lattice-gas model) and thus much of the book will also be useful for applications other than to surface reactions. Second, it is intended to teach the reader what can be learned from kMC simulations of surface reaction kinetics. With these goals in mind, the present text is conceived as a self-contained introduction for students and non-specialist researchers alike who are interested in entering the field and learning about the topic from scratch.

Download or read book Transition Metal Catalyzed Oxidative Cross Coupling Reactions written by Aiwen Lei and published by Springer. This book was released on 2018-12-14 with total page 198 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a comprehensive text covering the research and development trends in the booming field of transition metal catalyzed oxidative cross-coupling reactions. Oxidative cross-coupling reaction is a new method to forming chemical bonds besides the traditional cross-coupling reactions. This book provides the answers to how this coupling reaction occurs and what its advantages are. The palladium, copper and iron catalyzed oxidative cross-coupling reactions as the main focuses of interest are described in detail. The oxidative cross-coupling reactions catalyzed by other metals and transition-metal-free oxidative coupling reactions are also introduced.This book provides a useful reference source for researchers and graduates in the field of transition metal catalyzed coupling reactions. It is also valuable to researchers working in pharmaceutical companies, fine organic chemical companies, and etc.

Download or read book Perovskites and Related Mixed Oxides written by Pascal Granger and published by John Wiley & Sons. This book was released on 2016-02-23 with total page 1050 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive handbook and ready reference details all the main achievements in the field of perovskite-based and related mixed-oxide materials. The authors discuss, in an unbiased manner, the potentials as well as the challenges related to their use, thus offering new perspectives for research and development on both an academic and industrial level. The first volume begins by summarizing the different synthesis routes from molten salts at high temperatures to colloidal crystal template methods, before going on to focus on the physical properties of the resulting materials and their related applications in the fields of electronics, energy harvesting, and storage as well as electromechanics and superconductivity. The second volume is dedicated to the catalytic applications of perovskites and related mixed oxides, including, but not limited to total oxidation of hydrocarbons, dry reforming of methane and denitrogenation. The concluding section deals with the development of chemical reactors and novel perovskite-based applications, such as fuel cells and high-performance ceramic membranes. Throughout, the contributions clearly point out the intimate links between structure, properties and applications of these materials, making this an invaluable tool for materials scientists and for catalytic and physical chemists.

Download or read book Computational Catalysis written by Aravind Asthagiri and published by Royal Society of Chemistry. This book was released on 2014 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.

Download or read book Biomimetic Oxidations Catalyzed By Transition Metal Complexes written by Bernard Meunier and published by World Scientific. This book was released on 2000-03-08 with total page 697 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the classic work Metal-Catalyzed Oxidations of Organic Compounds (edited by R A Sheldon and J K Kochi, 1991), no book has been devoted to advances in the field of biomimetic oxidations, which was created nearly 18 years ago. This expanding research field is covered in this volume. All the different aspects of the modeling of oxidations catalyzed by metalloenzymes are dealt with.This invaluable book will be useful to postgraduates as well as researchers in academia and industry, and will also benefit second year university students.

Download or read book Water Oxidation Catalysts written by and published by Academic Press. This book was released on 2019-06-22 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: Water Oxidation Catalysts, Volume 74, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, ranging from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in the Advances in Inorganic Chemistry series - Includes the latest information on water oxidation catalysts